14-[6-[9,9-bis(4-methylphenyl)acridin-10-yl]naphthalen-2-yl]-21,21-bis(4-methylphenyl)-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[6-[10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasilin-5-yl]-9,10-diphenylanthracen-2-yl]-21,21-bis(4-methylphenyl)-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;21,21-dibutyl-14-[6-(10,10-dibutylbenzo[b][1,4]benzazasilin-5-yl)-3,8-di(propan-2-yl)pyren-1-yl]-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[5-(9,9-diphenylacridin-10-yl)-3,7-dimethylnaphthalen-1-yl]-21,21-diphenyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

C290H236N8O4Si4 — CID 158836124

IUPAC14-[6-[9,9-bis(4-methylphenyl)acridin-10-yl]naphthalen-2-yl]-21,21-bis(4-methylphenyl)-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[6-[10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasilin-5-yl]-9,10-diphenylanthracen-2-yl]-21,21-bis(4-methylphenyl)-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;21,21-dibutyl-14-[6-(10,10-dibutylbenzo[b][1,4]benzazasilin-5-yl)-3,8-di(propan-2-yl)pyren-1-yl]-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[5-(9,9-diphenylacridin-10-yl)-3,7-dimethylnaphthalen-1-yl]-21,21-diphenyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
SMILESCCCC[Si]1(CCCC)c2ccccc2N(c2cc(C(C)C)c3ccc4c(N5c6ccccc6[Si](CCCC)(CCCC)c6cc7c(cc65)oc5ccccc57)cc(C(C)C)c5ccc2c3c54)c2ccccc21.Cc1cc(N2c3ccccc3C(c3ccccc3)(c3ccccc3)c3cc4c(cc32)oc2ccccc24)c2cc(C)cc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)c2c1.Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3N(c3ccc4cc(N5c6ccccc6C(c6ccc(C)cc6)(c6ccc(C)cc6)c6cc7c(cc65)oc5ccccc57)ccc4c3)c3ccccc32)cc1.Cc1ccc([Si]2(c3ccc(C)cc3)c3ccccc3N(c3ccc4c(-c5ccccc5)c5cc(N6c7ccccc7[Si](c7ccc(C)cc7)(c7ccc(C)cc7)c7cc8c(cc76)oc6ccccc68)ccc5c(-c5ccccc5)c4c3)c3ccccc32)cc1
InChIInChI=1S/C84H62N2OSi2.C70H52N2O.C68H74N2OSi2.C68H48N2O/c1-55-31-41-63(42-32-55)88(64-43-33-56(2)34-44-64)79-28-16-12-24-73(79)85(74-25-13-17-29-80(74)88)61-39-49-68-71(51-61)83(59-19-7-5-8-20-59)69-50-40-62(52-72(69)84(68)60-21-9-6-10-22-60)86-75-26-14-18-30-81(75)89(65-45-35-57(3)36-46-65,66-47-37-58(4)38-48-66)82-53-70-67-23-11-15-27-77(67)87-78(70)54-76(82)86;1-45-21-31-51(32-22-45)69(52-33-23-46(2)24-34-52)59-14-6-9-17-63(59)71(64-18-10-7-15-60(64)69)55-39-29-50-42-56(40-30-49(50)41-55)72-65-19-11-8-16-61(65)70(53-35-25-47(3)26-36-53,54-37-27-48(4)28-38-54)62-43-58-57-13-5-12-20-67(57)73-68(58)44-66(62)72;1-9-13-37-72(38-14-10-2)63-30-22-18-26-55(63)69(56-27-19-23-31-64(56)72)58-41-52(45(5)6)48-34-36-51-59(42-53(46(7)8)49-33-35-50(58)67(48)68(49)51)70-57-28-20-24-32-65(57)73(39-15-11-3,40-16-12-4)66-43-54-47-25-17-21-29-61(47)71-62(54)44-60(66)70;1-45-40-53-52(62(41-45)69-59-35-19-16-32-55(59)67(47-23-7-3-8-24-47,48-25-9-4-10-26-48)56-33-17-20-36-60(56)69)39-46(2)42-63(53)70-61-37-21-18-34-57(61)68(49-27-11-5-12-28-49,50-29-13-6-14-30-50)58-43-54-51-31-15-22-38-65(51)71-66(54)44-64(58)70/h5-54H,1-4H3;5-44H,1-4H3;17-36,41-46H,9-16,37-40H2,1-8H3;3-44H,1-2H3
InChIKeyIXQUVTRUERKBPW-UHFFFAOYSA-N
MW4009.47 g/mol
LogP71.40
Rot. Bonds36

About 14-[6-[9,9-bis(4-methylphenyl)acridin-10-yl]naphthalen-2-yl]-21,21-bis(4-methylphenyl)-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[6-[10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasilin-5-yl]-9,10-diphenylanthracen-2-yl]-21,21-bis(4-methylphenyl)-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;21,21-dibutyl-14-[6-(10,10-dibutylbenzo[b][1,4]benzazasilin-5-yl)-3,8-di(propan-2-yl)pyren-1-yl]-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[5-(9,9-diphenylacridin-10-yl)-3,7-dimethylnaphthalen-1-yl]-21,21-diphenyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

14-[6-[9,9-bis(4-methylphenyl)acridin-10-yl]naphthalen-2-yl]-21,21-bis(4-methylphenyl)-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[6-[10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasilin-5-yl]-9,10-diphenylanthracen-2-yl]-21,21-bis(4-methylphenyl)-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;21,21-dibutyl-14-[6-(10,10-dibutylbenzo[b][1,4]benzazasilin-5-yl)-3,8-di(propan-2-yl)pyren-1-yl]-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[5-(9,9-diphenylacridin-10-yl)-3,7-dimethylnaphthalen-1-yl]-21,21-diphenyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (PubChem CID 158836124) has the molecular formula C290H236N8O4Si4 and a molecular weight of 4009.47 g/mol. Its IUPAC name is 14-[6-[9,9-bis(4-methylphenyl)acridin-10-yl]naphthalen-2-yl]-21,21-bis(4-methylphenyl)-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[6-[10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasilin-5-yl]-9,10-diphenylanthracen-2-yl]-21,21-bis(4-methylphenyl)-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;21,21-dibutyl-14-[6-(10,10-dibutylbenzo[b][1,4]benzazasilin-5-yl)-3,8-di(propan-2-yl)pyren-1-yl]-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[5-(9,9-diphenylacridin-10-yl)-3,7-dimethylnaphthalen-1-yl]-21,21-diphenyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.

Molecular Properties

Compound Name14-[6-[9,9-bis(4-methylphenyl)acridin-10-yl]naphthalen-2-yl]-21,21-bis(4-methylphenyl)-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[6-[10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasilin-5-yl]-9,10-diphenylanthracen-2-yl]-21,21-bis(4-methylphenyl)-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;21,21-dibutyl-14-[6-(10,10-dibutylbenzo[b][1,4]benzazasilin-5-yl)-3,8-di(propan-2-yl)pyren-1-yl]-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[5-(9,9-diphenylacridin-10-yl)-3,7-dimethylnaphthalen-1-yl]-21,21-diphenyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
PubChem CID158836124
Molecular FormulaC290H236N8O4Si4
Molecular Weight4009.47 g/mol
Exact Mass4005.76
IUPAC Name14-[6-[9,9-bis(4-methylphenyl)acridin-10-yl]naphthalen-2-yl]-21,21-bis(4-methylphenyl)-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[6-[10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasilin-5-yl]-9,10-diphenylanthracen-2-yl]-21,21-bis(4-methylphenyl)-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;21,21-dibutyl-14-[6-(10,10-dibutylbenzo[b][1,4]benzazasilin-5-yl)-3,8-di(propan-2-yl)pyren-1-yl]-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[5-(9,9-diphenylacridin-10-yl)-3,7-dimethylnaphthalen-1-yl]-21,21-diphenyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
SMILESCCCC[Si]1(CCCC)c2ccccc2N(c2cc(C(C)C)c3ccc4c(N5c6ccccc6[Si](CCCC)(CCCC)c6cc7c(cc65)oc5ccccc57)cc(C(C)C)c5ccc2c3c54)c2ccccc21.Cc1cc(N2c3ccccc3C(c3ccccc3)(c3ccccc3)c3cc4c(cc32)oc2ccccc24)c2cc(C)cc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)c2c1.Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3N(c3ccc4cc(N5c6ccccc6C(c6ccc(C)cc6)(c6ccc(C)cc6)c6cc7c(cc65)oc5ccccc57)ccc4c3)c3ccccc32)cc1.Cc1ccc([Si]2(c3ccc(C)cc3)c3ccccc3N(c3ccc4c(-c5ccccc5)c5cc(N6c7ccccc7[Si](c7ccc(C)cc7)(c7ccc(C)cc7)c7cc8c(cc76)oc6ccccc68)ccc5c(-c5ccccc5)c4c3)c3ccccc32)cc1
InChIInChI=1S/C84H62N2OSi2.C70H52N2O.C68H74N2OSi2.C68H48N2O/c1-55-31-41-63(42-32-55)88(64-43-33-56(2)34-44-64)79-28-16-12-24-73(79)85(74-25-13-17-29-80(74)88)61-39-49-68-71(51-61)83(59-19-7-5-8-20-59)69-50-40-62(52-72(69)84(68)60-21-9-6-10-22-60)86-75-26-14-18-30-81(75)89(65-45-35-57(3)36-46-65,66-47-37-58(4)38-48-66)82-53-70-67-23-11-15-27-77(67)87-78(70)54-76(82)86;1-45-21-31-51(32-22-45)69(52-33-23-46(2)24-34-52)59-14-6-9-17-63(59)71(64-18-10-7-15-60(64)69)55-39-29-50-42-56(40-30-49(50)41-55)72-65-19-11-8-16-61(65)70(53-35-25-47(3)26-36-53,54-37-27-48(4)28-38-54)62-43-58-57-13-5-12-20-67(57)73-68(58)44-66(62)72;1-9-13-37-72(38-14-10-2)63-30-22-18-26-55(63)69(56-27-19-23-31-64(56)72)58-41-52(45(5)6)48-34-36-51-59(42-53(46(7)8)49-33-35-50(58)67(48)68(49)51)70-57-28-20-24-32-65(57)73(39-15-11-3,40-16-12-4)66-43-54-47-25-17-21-29-61(47)71-62(54)44-60(66)70;1-45-40-53-52(62(41-45)69-59-35-19-16-32-55(59)67(47-23-7-3-8-24-47,48-25-9-4-10-26-48)56-33-17-20-36-60(56)69)39-46(2)42-63(53)70-61-37-21-18-34-57(61)68(49-27-11-5-12-28-49,50-29-13-6-14-30-50)58-43-54-51-31-15-22-38-65(51)71-66(54)44-64(58)70/h5-54H,1-4H3;5-44H,1-4H3;17-36,41-46H,9-16,37-40H2,1-8H3;3-44H,1-2H3
InChIKeyIXQUVTRUERKBPW-UHFFFAOYSA-N
XLogP71.40
TPSA78.48 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds36
Heavy Atoms306
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004009.47
LogP ≤ 571.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 14-[6-[9,9-bis(4-methylphenyl)acridin-10-yl]naphthalen-2-yl]-21,21-bis(4-methylphenyl)-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[6-[10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasilin-5-yl]-9,10-diphenylanthracen-2-yl]-21,21-bis(4-methylphenyl)-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;21,21-dibutyl-14-[6-(10,10-dibutylbenzo[b][1,4]benzazasilin-5-yl)-3,8-di(propan-2-yl)pyren-1-yl]-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[5-(9,9-diphenylacridin-10-yl)-3,7-dimethylnaphthalen-1-yl]-21,21-diphenyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-[6-[9,9-bis(4-methylphenyl)acridin-10-yl]naphthalen-2-yl]-21,21-bis(4-methylphenyl)-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[6-[10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasilin-5-yl]-9,10-diphenylanthracen-2-yl]-21,21-bis(4-methylphenyl)-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;21,21-dibutyl-14-[6-(10,10-dibutylbenzo[b][1,4]benzazasilin-5-yl)-3,8-di(propan-2-yl)pyren-1-yl]-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[5-(9,9-diphenylacridin-10-yl)-3,7-dimethylnaphthalen-1-yl]-21,21-diphenyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The IUPAC name of 14-[6-[9,9-bis(4-methylphenyl)acridin-10-yl]naphthalen-2-yl]-21,21-bis(4-methylphenyl)-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[6-[10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasilin-5-yl]-9,10-diphenylanthracen-2-yl]-21,21-bis(4-methylphenyl)-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;21,21-dibutyl-14-[6-(10,10-dibutylbenzo[b][1,4]benzazasilin-5-yl)-3,8-di(propan-2-yl)pyren-1-yl]-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[5-(9,9-diphenylacridin-10-yl)-3,7-dimethylnaphthalen-1-yl]-21,21-diphenyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (CID 158836124) is 14-[6-[9,9-bis(4-methylphenyl)acridin-10-yl]naphthalen-2-yl]-21,21-bis(4-methylphenyl)-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[6-[10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasilin-5-yl]-9,10-diphenylanthracen-2-yl]-21,21-bis(4-methylphenyl)-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;21,21-dibutyl-14-[6-(10,10-dibutylbenzo[b][1,4]benzazasilin-5-yl)-3,8-di(propan-2-yl)pyren-1-yl]-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[5-(9,9-diphenylacridin-10-yl)-3,7-dimethylnaphthalen-1-yl]-21,21-diphenyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.
What is the SMILES notation for 14-[6-[9,9-bis(4-methylphenyl)acridin-10-yl]naphthalen-2-yl]-21,21-bis(4-methylphenyl)-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[6-[10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasilin-5-yl]-9,10-diphenylanthracen-2-yl]-21,21-bis(4-methylphenyl)-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;21,21-dibutyl-14-[6-(10,10-dibutylbenzo[b][1,4]benzazasilin-5-yl)-3,8-di(propan-2-yl)pyren-1-yl]-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[5-(9,9-diphenylacridin-10-yl)-3,7-dimethylnaphthalen-1-yl]-21,21-diphenyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The canonical SMILES for 14-[6-[9,9-bis(4-methylphenyl)acridin-10-yl]naphthalen-2-yl]-21,21-bis(4-methylphenyl)-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[6-[10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasilin-5-yl]-9,10-diphenylanthracen-2-yl]-21,21-bis(4-methylphenyl)-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;21,21-dibutyl-14-[6-(10,10-dibutylbenzo[b][1,4]benzazasilin-5-yl)-3,8-di(propan-2-yl)pyren-1-yl]-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[5-(9,9-diphenylacridin-10-yl)-3,7-dimethylnaphthalen-1-yl]-21,21-diphenyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is CCCC[Si]1(CCCC)c2ccccc2N(c2cc(C(C)C)c3ccc4c(N5c6ccccc6[Si](CCCC)(CCCC)c6cc7c(cc65)oc5ccccc57)cc(C(C)C)c5ccc2c3c54)c2ccccc21.Cc1cc(N2c3ccccc3C(c3ccccc3)(c3ccccc3)c3cc4c(cc32)oc2ccccc24)c2cc(C)cc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)c2c1.Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3N(c3ccc4cc(N5c6ccccc6C(c6ccc(C)cc6)(c6ccc(C)cc6)c6cc7c(cc65)oc5ccccc57)ccc4c3)c3ccccc32)cc1.Cc1ccc([Si]2(c3ccc(C)cc3)c3ccccc3N(c3ccc4c(-c5ccccc5)c5cc(N6c7ccccc7[Si](c7ccc(C)cc7)(c7ccc(C)cc7)c7cc8c(cc76)oc6ccccc68)ccc5c(-c5ccccc5)c4c3)c3ccccc32)cc1.
What is the InChIKey of 14-[6-[9,9-bis(4-methylphenyl)acridin-10-yl]naphthalen-2-yl]-21,21-bis(4-methylphenyl)-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[6-[10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasilin-5-yl]-9,10-diphenylanthracen-2-yl]-21,21-bis(4-methylphenyl)-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;21,21-dibutyl-14-[6-(10,10-dibutylbenzo[b][1,4]benzazasilin-5-yl)-3,8-di(propan-2-yl)pyren-1-yl]-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[5-(9,9-diphenylacridin-10-yl)-3,7-dimethylnaphthalen-1-yl]-21,21-diphenyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The InChIKey is IXQUVTRUERKBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H62N2OSi2.C70H52N2O.C68H74N2OSi2.C68H48N2O/c1-55-31-41-63(42-32-55)88(64-43-33-56(2)34-44-64)79-28-16-12-24-73(79)85(74-25-13-17-29-80(74)88)61-39-49-68-71(51-61)83(59-19-7-5-8-20-59)69-50-40-62(52-72(69)84(68)60-21-9-6-10-22-60)86-75-26-14-18-30-81(75)89(65-45-35-57(3)36-46-65,66-47-37-58(4)38-48-66)82-53-70-67-23-11-15-27-77(67)87-78(70)54-76(82)86;1-45-21-31-51(32-22-45)69(52-33-23-46(2)24-34-52)59-14-6-9-17-63(59)71(64-18-10-7-15-60(64)69)55-39-29-50-42-56(40-30-49(50)41-55)72-65-19-11-8-16-61(65)70(53-35-25-47(3)26-36-53,54-37-27-48(4)28-38-54)62-43-58-57-13-5-12-20-67(57)73-68(58)44-66(62)72;1-9-13-37-72(38-14-10-2)63-30-22-18-26-55(63)69(56-27-19-23-31-64(56)72)58-41-52(45(5)6)48-34-36-51-59(42-53(46(7)8)49-33-35-50(58)67(48)68(49)51)70-57-28-20-24-32-65(57)73(39-15-11-3,40-16-12-4)66-43-54-47-25-17-21-29-61(47)71-62(54)44-60(66)70;1-45-40-53-52(62(41-45)69-59-35-19-16-32-55(59)67(47-23-7-3-8-24-47,48-25-9-4-10-26-48)56-33-17-20-36-60(56)69)39-46(2)42-63(53)70-61-37-21-18-34-57(61)68(49-27-11-5-12-28-49,50-29-13-6-14-30-50)58-43-54-51-31-15-22-38-65(51)71-66(54)44-64(58)70/h5-54H,1-4H3;5-44H,1-4H3;17-36,41-46H,9-16,37-40H2,1-8H3;3-44H,1-2H3.
What are the key properties of 14-[6-[9,9-bis(4-methylphenyl)acridin-10-yl]naphthalen-2-yl]-21,21-bis(4-methylphenyl)-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[6-[10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasilin-5-yl]-9,10-diphenylanthracen-2-yl]-21,21-bis(4-methylphenyl)-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;21,21-dibutyl-14-[6-(10,10-dibutylbenzo[b][1,4]benzazasilin-5-yl)-3,8-di(propan-2-yl)pyren-1-yl]-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[5-(9,9-diphenylacridin-10-yl)-3,7-dimethylnaphthalen-1-yl]-21,21-diphenyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
14-[6-[9,9-bis(4-methylphenyl)acridin-10-yl]naphthalen-2-yl]-21,21-bis(4-methylphenyl)-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[6-[10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasilin-5-yl]-9,10-diphenylanthracen-2-yl]-21,21-bis(4-methylphenyl)-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;21,21-dibutyl-14-[6-(10,10-dibutylbenzo[b][1,4]benzazasilin-5-yl)-3,8-di(propan-2-yl)pyren-1-yl]-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[5-(9,9-diphenylacridin-10-yl)-3,7-dimethylnaphthalen-1-yl]-21,21-diphenyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene has a molecular weight of 4009.47 g/mol, XLogP of 71.40, 36 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[6-[9,9-bis(4-methylphenyl)acridin-10-yl]naphthalen-2-yl]-21,21-bis(4-methylphenyl)-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[6-[10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasilin-5-yl]-9,10-diphenylanthracen-2-yl]-21,21-bis(4-methylphenyl)-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;21,21-dibutyl-14-[6-(10,10-dibutylbenzo[b][1,4]benzazasilin-5-yl)-3,8-di(propan-2-yl)pyren-1-yl]-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[5-(9,9-diphenylacridin-10-yl)-3,7-dimethylnaphthalen-1-yl]-21,21-diphenyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is sourced from PubChem (CID 158836124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).