17,19-di(dibenzofuran-4-yl)-4,11-di(propan-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;[17,19-di(dibenzofuran-4-yl)-11-methoxy-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaen-4-yl]methanol;4,11-diethyl-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;11-isocyano-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene-4-carbonitrile

C220H136N12O6S4 — CID 157182593

IUPAC17,19-di(dibenzofuran-4-yl)-4,11-di(propan-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;[17,19-di(dibenzofuran-4-yl)-11-methoxy-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaen-4-yl]methanol;4,11-diethyl-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;11-isocyano-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene-4-carbonitrile
SMILESCC(C)c1ccc2c3ccc(C(C)C)cc3c3nc4c(-c5cccc6c5oc5ccccc56)sc(-c5cccc6c5oc5ccccc56)c4nc3c2c1.CCc1ccc2c3ccc(CC)cc3c3nc4c(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)sc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4nc3c2c1.COc1ccc2c3ccc(CO)cc3c3nc4c(-c5cccc6c5oc5ccccc56)sc(-c5cccc6c5oc5ccccc56)c4nc3c2c1.[C-]#[N+]c1ccc2c3ccc(C#N)cc3c3nc4c(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)sc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c4nc3c2c1
InChIInChI=1S/C70H36N4S.C58H40N4S.C48H34N2O2S.C44H26N2O4S/c1-72-40-33-35-42-41-34-32-39(38-71)36-51(41)63-64(52(42)37-40)74-66-65(73-63)67(49-22-14-30-59-61(49)47-20-6-12-28-57(47)69(59)53-24-8-2-16-43(53)44-17-3-9-25-54(44)69)75-68(66)50-23-15-31-60-62(50)48-21-7-13-29-58(48)70(60)55-26-10-4-18-45(55)46-19-5-11-27-56(46)70;1-3-35-23-27-41-42-28-24-36(4-2)32-48(42)54-53(47(41)31-35)59-55-56(60-54)58(38-26-30-46-44-20-12-14-22-50(44)62(52(46)34-38)40-17-9-6-10-18-40)63-57(55)37-25-29-45-43-19-11-13-21-49(43)61(51(45)33-37)39-15-7-5-8-16-39;1-25(2)27-19-21-29-30-22-20-28(26(3)4)24-38(30)42-41(37(29)23-27)49-43-44(50-42)48(36-16-10-14-34-32-12-6-8-18-40(32)52-46(34)36)53-47(43)35-15-9-13-33-31-11-5-7-17-39(31)51-45(33)35;1-48-24-17-19-26-25-18-16-23(22-47)20-33(25)37-38(34(26)21-24)46-40-39(45-37)43(31-12-6-10-29-27-8-2-4-14-35(27)49-41(29)31)51-44(40)32-13-7-11-30-28-9-3-5-15-36(28)50-42(30)32/h2-37H;5-34H,3-4H2,1-2H3;5-26H,1-4H3;2-21,47H,22H2,1H3
InChIKeyAOSWMAGVZNRSNU-UHFFFAOYSA-N
MW3171.85 g/mol
LogP59.71
Rot. Bonds16

About 17,19-di(dibenzofuran-4-yl)-4,11-di(propan-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;[17,19-di(dibenzofuran-4-yl)-11-methoxy-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaen-4-yl]methanol;4,11-diethyl-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;11-isocyano-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene-4-carbonitrile

17,19-di(dibenzofuran-4-yl)-4,11-di(propan-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;[17,19-di(dibenzofuran-4-yl)-11-methoxy-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaen-4-yl]methanol;4,11-diethyl-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;11-isocyano-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene-4-carbonitrile (PubChem CID 157182593) has the molecular formula C220H136N12O6S4 and a molecular weight of 3171.85 g/mol. Its IUPAC name is 17,19-di(dibenzofuran-4-yl)-4,11-di(propan-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;[17,19-di(dibenzofuran-4-yl)-11-methoxy-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaen-4-yl]methanol;4,11-diethyl-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;11-isocyano-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene-4-carbonitrile.

Molecular Properties

Compound Name17,19-di(dibenzofuran-4-yl)-4,11-di(propan-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;[17,19-di(dibenzofuran-4-yl)-11-methoxy-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaen-4-yl]methanol;4,11-diethyl-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;11-isocyano-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene-4-carbonitrile
PubChem CID157182593
Molecular FormulaC220H136N12O6S4
Molecular Weight3171.85 g/mol
Exact Mass3168.96
IUPAC Name17,19-di(dibenzofuran-4-yl)-4,11-di(propan-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;[17,19-di(dibenzofuran-4-yl)-11-methoxy-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaen-4-yl]methanol;4,11-diethyl-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;11-isocyano-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene-4-carbonitrile
SMILESCC(C)c1ccc2c3ccc(C(C)C)cc3c3nc4c(-c5cccc6c5oc5ccccc56)sc(-c5cccc6c5oc5ccccc56)c4nc3c2c1.CCc1ccc2c3ccc(CC)cc3c3nc4c(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)sc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4nc3c2c1.COc1ccc2c3ccc(CO)cc3c3nc4c(-c5cccc6c5oc5ccccc56)sc(-c5cccc6c5oc5ccccc56)c4nc3c2c1.[C-]#[N+]c1ccc2c3ccc(C#N)cc3c3nc4c(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)sc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c4nc3c2c1
InChIInChI=1S/C70H36N4S.C58H40N4S.C48H34N2O2S.C44H26N2O4S/c1-72-40-33-35-42-41-34-32-39(38-71)36-51(41)63-64(52(42)37-40)74-66-65(73-63)67(49-22-14-30-59-61(49)47-20-6-12-28-57(47)69(59)53-24-8-2-16-43(53)44-17-3-9-25-54(44)69)75-68(66)50-23-15-31-60-62(50)48-21-7-13-29-58(48)70(60)55-26-10-4-18-45(55)46-19-5-11-27-56(46)70;1-3-35-23-27-41-42-28-24-36(4-2)32-48(42)54-53(47(41)31-35)59-55-56(60-54)58(38-26-30-46-44-20-12-14-22-50(44)62(52(46)34-38)40-17-9-6-10-18-40)63-57(55)37-25-29-45-43-19-11-13-21-49(43)61(51(45)33-37)39-15-7-5-8-16-39;1-25(2)27-19-21-29-30-22-20-28(26(3)4)24-38(30)42-41(37(29)23-27)49-43-44(50-42)48(36-16-10-14-34-32-12-6-8-18-40(32)52-46(34)36)53-47(43)35-15-9-13-33-31-11-5-7-17-39(31)51-45(33)35;1-48-24-17-19-26-25-18-16-23(22-47)20-33(25)37-38(34(26)21-24)46-40-39(45-37)43(31-12-6-10-29-27-8-2-4-14-35(27)49-41(29)31)51-44(40)32-13-7-11-30-28-9-3-5-15-36(28)50-42(30)32/h2-37H;5-34H,3-4H2,1-2H3;5-26H,1-4H3;2-21,47H,22H2,1H3
InChIKeyAOSWMAGVZNRSNU-UHFFFAOYSA-N
XLogP59.71
TPSA223.15 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds16
Heavy Atoms242
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003171.85
LogP ≤ 559.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 17,19-di(dibenzofuran-4-yl)-4,11-di(propan-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;[17,19-di(dibenzofuran-4-yl)-11-methoxy-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaen-4-yl]methanol;4,11-diethyl-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;11-isocyano-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene-4-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 17,19-di(dibenzofuran-4-yl)-4,11-di(propan-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;[17,19-di(dibenzofuran-4-yl)-11-methoxy-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaen-4-yl]methanol;4,11-diethyl-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;11-isocyano-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene-4-carbonitrile?
The IUPAC name of 17,19-di(dibenzofuran-4-yl)-4,11-di(propan-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;[17,19-di(dibenzofuran-4-yl)-11-methoxy-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaen-4-yl]methanol;4,11-diethyl-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;11-isocyano-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene-4-carbonitrile (CID 157182593) is 17,19-di(dibenzofuran-4-yl)-4,11-di(propan-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;[17,19-di(dibenzofuran-4-yl)-11-methoxy-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaen-4-yl]methanol;4,11-diethyl-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;11-isocyano-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene-4-carbonitrile.
What is the SMILES notation for 17,19-di(dibenzofuran-4-yl)-4,11-di(propan-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;[17,19-di(dibenzofuran-4-yl)-11-methoxy-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaen-4-yl]methanol;4,11-diethyl-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;11-isocyano-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene-4-carbonitrile?
The canonical SMILES for 17,19-di(dibenzofuran-4-yl)-4,11-di(propan-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;[17,19-di(dibenzofuran-4-yl)-11-methoxy-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaen-4-yl]methanol;4,11-diethyl-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;11-isocyano-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene-4-carbonitrile is CC(C)c1ccc2c3ccc(C(C)C)cc3c3nc4c(-c5cccc6c5oc5ccccc56)sc(-c5cccc6c5oc5ccccc56)c4nc3c2c1.CCc1ccc2c3ccc(CC)cc3c3nc4c(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)sc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4nc3c2c1.COc1ccc2c3ccc(CO)cc3c3nc4c(-c5cccc6c5oc5ccccc56)sc(-c5cccc6c5oc5ccccc56)c4nc3c2c1.[C-]#[N+]c1ccc2c3ccc(C#N)cc3c3nc4c(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)sc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c4nc3c2c1.
What is the InChIKey of 17,19-di(dibenzofuran-4-yl)-4,11-di(propan-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;[17,19-di(dibenzofuran-4-yl)-11-methoxy-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaen-4-yl]methanol;4,11-diethyl-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;11-isocyano-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene-4-carbonitrile?
The InChIKey is AOSWMAGVZNRSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H36N4S.C58H40N4S.C48H34N2O2S.C44H26N2O4S/c1-72-40-33-35-42-41-34-32-39(38-71)36-51(41)63-64(52(42)37-40)74-66-65(73-63)67(49-22-14-30-59-61(49)47-20-6-12-28-57(47)69(59)53-24-8-2-16-43(53)44-17-3-9-25-54(44)69)75-68(66)50-23-15-31-60-62(50)48-21-7-13-29-58(48)70(60)55-26-10-4-18-45(55)46-19-5-11-27-56(46)70;1-3-35-23-27-41-42-28-24-36(4-2)32-48(42)54-53(47(41)31-35)59-55-56(60-54)58(38-26-30-46-44-20-12-14-22-50(44)62(52(46)34-38)40-17-9-6-10-18-40)63-57(55)37-25-29-45-43-19-11-13-21-49(43)61(51(45)33-37)39-15-7-5-8-16-39;1-25(2)27-19-21-29-30-22-20-28(26(3)4)24-38(30)42-41(37(29)23-27)49-43-44(50-42)48(36-16-10-14-34-32-12-6-8-18-40(32)52-46(34)36)53-47(43)35-15-9-13-33-31-11-5-7-17-39(31)51-45(33)35;1-48-24-17-19-26-25-18-16-23(22-47)20-33(25)37-38(34(26)21-24)46-40-39(45-37)43(31-12-6-10-29-27-8-2-4-14-35(27)49-41(29)31)51-44(40)32-13-7-11-30-28-9-3-5-15-36(28)50-42(30)32/h2-37H;5-34H,3-4H2,1-2H3;5-26H,1-4H3;2-21,47H,22H2,1H3.
What are the key properties of 17,19-di(dibenzofuran-4-yl)-4,11-di(propan-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;[17,19-di(dibenzofuran-4-yl)-11-methoxy-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaen-4-yl]methanol;4,11-diethyl-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;11-isocyano-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene-4-carbonitrile?
17,19-di(dibenzofuran-4-yl)-4,11-di(propan-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;[17,19-di(dibenzofuran-4-yl)-11-methoxy-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaen-4-yl]methanol;4,11-diethyl-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;11-isocyano-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene-4-carbonitrile has a molecular weight of 3171.85 g/mol, XLogP of 59.71, 16 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 17,19-di(dibenzofuran-4-yl)-4,11-di(propan-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;[17,19-di(dibenzofuran-4-yl)-11-methoxy-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaen-4-yl]methanol;4,11-diethyl-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;11-isocyano-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene-4-carbonitrile is sourced from PubChem (CID 157182593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).