9',9'-dimethyl-1'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];5',5'-dimethyl-4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline];4'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]

C301H194N14O2S2Si — CID 157162369

IUPAC9',9'-dimethyl-1'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];5',5'-dimethyl-4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline];4'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]
SMILESCC1(C)c2ccccc2C2(c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c21.C[Si]1(C)c2ccccc2C2(c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c21.c1ccc(-n2c(-c3ccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-n5c6ccccc6c6cccc4c65)cc3)nc3ccccc32)cc1.c1ccc(-n2c(-c3ccc(-c4cccc5c4Sc4ccccc4C54c5ccccc5-n5c6ccccc6c6cccc4c65)cc3)nc3ccccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-n5c6ccccc6c6cccc4c65)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cccc5c4Sc4ccccc4C54c5ccccc5-n5c6ccccc6c6cccc4c65)cc32)cc1
InChIInChI=1S/C52H36N2.C51H36N2Si.C50H31N3O.C50H31N3S.C49H30N2O.C49H30N2S/c1-51(2)40-22-8-9-23-41(40)52(42-24-10-13-29-47(42)54-46-28-12-7-19-37(46)39-21-15-26-44(52)50(39)54)43-25-14-20-35(49(43)51)33-30-31-38-36-18-6-11-27-45(36)53(48(38)32-33)34-16-4-3-5-17-34;1-54(2)48-29-13-9-23-41(48)51(40-22-8-12-28-46(40)53-45-27-11-7-19-37(45)39-21-15-24-42(51)49(39)53)43-25-14-20-35(50(43)54)33-30-31-38-36-18-6-10-26-44(36)52(47(38)32-33)34-16-4-3-5-17-34;2*1-2-14-34(15-3-1)52-45-26-10-7-23-42(45)51-49(52)33-30-28-32(29-31-33)35-17-12-22-41-48(35)54-46-27-11-6-20-39(46)50(41)38-19-5-9-25-44(38)53-43-24-8-4-16-36(43)37-18-13-21-40(50)47(37)53;2*1-2-14-32(15-3-1)50-42-24-8-4-16-34(42)36-29-28-31(30-45(36)50)33-18-12-23-41-48(33)52-46-27-11-7-21-39(46)49(41)38-20-6-10-26-44(38)51-43-25-9-5-17-35(43)37-19-13-22-40(49)47(37)51/h2*3-32H,1-2H3;2*1-31H;2*1-30H
InChIKeyAMNHQWAVMASBHY-UHFFFAOYSA-N
MW4131.18 g/mol
LogP74.20
Rot. Bonds14

About 9',9'-dimethyl-1'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];5',5'-dimethyl-4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline];4'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]

9',9'-dimethyl-1'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];5',5'-dimethyl-4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline];4'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene] (PubChem CID 157162369) has the molecular formula C301H194N14O2S2Si and a molecular weight of 4131.18 g/mol. Its IUPAC name is 9',9'-dimethyl-1'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];5',5'-dimethyl-4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline];4'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene].

Molecular Properties

Compound Name9',9'-dimethyl-1'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];5',5'-dimethyl-4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline];4'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]
PubChem CID157162369
Molecular FormulaC301H194N14O2S2Si
Molecular Weight4131.18 g/mol
Exact Mass4127.47
IUPAC Name9',9'-dimethyl-1'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];5',5'-dimethyl-4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline];4'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]
SMILESCC1(C)c2ccccc2C2(c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c21.C[Si]1(C)c2ccccc2C2(c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c21.c1ccc(-n2c(-c3ccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-n5c6ccccc6c6cccc4c65)cc3)nc3ccccc32)cc1.c1ccc(-n2c(-c3ccc(-c4cccc5c4Sc4ccccc4C54c5ccccc5-n5c6ccccc6c6cccc4c65)cc3)nc3ccccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-n5c6ccccc6c6cccc4c65)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cccc5c4Sc4ccccc4C54c5ccccc5-n5c6ccccc6c6cccc4c65)cc32)cc1
InChIInChI=1S/C52H36N2.C51H36N2Si.C50H31N3O.C50H31N3S.C49H30N2O.C49H30N2S/c1-51(2)40-22-8-9-23-41(40)52(42-24-10-13-29-47(42)54-46-28-12-7-19-37(46)39-21-15-26-44(52)50(39)54)43-25-14-20-35(49(43)51)33-30-31-38-36-18-6-11-27-45(36)53(48(38)32-33)34-16-4-3-5-17-34;1-54(2)48-29-13-9-23-41(48)51(40-22-8-12-28-46(40)53-45-27-11-7-19-37(45)39-21-15-24-42(51)49(39)53)43-25-14-20-35(50(43)54)33-30-31-38-36-18-6-10-26-44(36)52(47(38)32-33)34-16-4-3-5-17-34;2*1-2-14-34(15-3-1)52-45-26-10-7-23-42(45)51-49(52)33-30-28-32(29-31-33)35-17-12-22-41-48(35)54-46-27-11-6-20-39(46)50(41)38-19-5-9-25-44(38)53-43-24-8-4-16-36(43)37-18-13-21-40(50)47(37)53;2*1-2-14-32(15-3-1)50-42-24-8-4-16-34(42)36-29-28-31(30-45(36)50)33-18-12-23-41-48(33)52-46-27-11-7-21-39(46)49(41)38-20-6-10-26-44(38)51-43-25-9-5-17-35(43)37-19-13-22-40(49)47(37)51/h2*3-32H,1-2H3;2*1-31H;2*1-30H
InChIKeyAMNHQWAVMASBHY-UHFFFAOYSA-N
XLogP74.20
TPSA103.40 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms320
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004131.18
LogP ≤ 574.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 9',9'-dimethyl-1'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];5',5'-dimethyl-4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline];4'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9',9'-dimethyl-1'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];5',5'-dimethyl-4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline];4'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]?
The IUPAC name of 9',9'-dimethyl-1'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];5',5'-dimethyl-4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline];4'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene] (CID 157162369) is 9',9'-dimethyl-1'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];5',5'-dimethyl-4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline];4'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene].
What is the SMILES notation for 9',9'-dimethyl-1'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];5',5'-dimethyl-4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline];4'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]?
The canonical SMILES for 9',9'-dimethyl-1'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];5',5'-dimethyl-4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline];4'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene] is CC1(C)c2ccccc2C2(c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c21.C[Si]1(C)c2ccccc2C2(c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c21.c1ccc(-n2c(-c3ccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-n5c6ccccc6c6cccc4c65)cc3)nc3ccccc32)cc1.c1ccc(-n2c(-c3ccc(-c4cccc5c4Sc4ccccc4C54c5ccccc5-n5c6ccccc6c6cccc4c65)cc3)nc3ccccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-n5c6ccccc6c6cccc4c65)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cccc5c4Sc4ccccc4C54c5ccccc5-n5c6ccccc6c6cccc4c65)cc32)cc1.
What is the InChIKey of 9',9'-dimethyl-1'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];5',5'-dimethyl-4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline];4'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]?
The InChIKey is AMNHQWAVMASBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2.C51H36N2Si.C50H31N3O.C50H31N3S.C49H30N2O.C49H30N2S/c1-51(2)40-22-8-9-23-41(40)52(42-24-10-13-29-47(42)54-46-28-12-7-19-37(46)39-21-15-26-44(52)50(39)54)43-25-14-20-35(49(43)51)33-30-31-38-36-18-6-11-27-45(36)53(48(38)32-33)34-16-4-3-5-17-34;1-54(2)48-29-13-9-23-41(48)51(40-22-8-12-28-46(40)53-45-27-11-7-19-37(45)39-21-15-24-42(51)49(39)53)43-25-14-20-35(50(43)54)33-30-31-38-36-18-6-10-26-44(36)52(47(38)32-33)34-16-4-3-5-17-34;2*1-2-14-34(15-3-1)52-45-26-10-7-23-42(45)51-49(52)33-30-28-32(29-31-33)35-17-12-22-41-48(35)54-46-27-11-6-20-39(46)50(41)38-19-5-9-25-44(38)53-43-24-8-4-16-36(43)37-18-13-21-40(50)47(37)53;2*1-2-14-32(15-3-1)50-42-24-8-4-16-34(42)36-29-28-31(30-45(36)50)33-18-12-23-41-48(33)52-46-27-11-7-21-39(46)49(41)38-20-6-10-26-44(38)51-43-25-9-5-17-35(43)37-19-13-22-40(49)47(37)51/h2*3-32H,1-2H3;2*1-31H;2*1-30H.
What are the key properties of 9',9'-dimethyl-1'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];5',5'-dimethyl-4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline];4'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]?
9',9'-dimethyl-1'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];5',5'-dimethyl-4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline];4'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene] has a molecular weight of 4131.18 g/mol, XLogP of 74.20, 14 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 9',9'-dimethyl-1'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];5',5'-dimethyl-4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline];4'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene] is sourced from PubChem (CID 157162369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).