14,14-bis(3-carbazol-9-ylphenyl)-5-(3,6-ditert-butylcarbazol-9-yl)-8,8-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;4-carbazol-9-yl-14,14-bis(3-carbazol-9-ylphenyl)-8,8-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene

C164H120N8Si4 — CID 163710205

IUPAC14,14-bis(3-carbazol-9-ylphenyl)-5-(3,6-ditert-butylcarbazol-9-yl)-8,8-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;4-carbazol-9-yl-14,14-bis(3-carbazol-9-ylphenyl)-8,8-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1cccc3c1N2c1ccccc1[Si]3(c1cccc(-n2c3ccccc3c3ccccc32)c1)c1cccc(-n2c3ccccc3c3ccccc32)c1.c1ccc([Si]2(c3ccccc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3N3c4ccccc4[Si](c4cccc(-n5c6ccccc6c6ccccc65)c4)(c4cccc(-n5c6ccccc6c6ccccc65)c4)c4cccc2c43)cc1
InChIInChI=1S/C86H68N4Si2.C78H52N4Si2/c1-85(2,3)57-46-49-76-70(52-57)71-53-58(86(4,5)6)47-50-77(71)89(76)61-48-51-79-83(56-61)91(62-28-9-7-10-29-62,63-30-11-8-12-31-63)81-44-25-45-82-84(81)90(79)78-42-21-22-43-80(78)92(82,64-32-23-26-59(54-64)87-72-38-17-13-34-66(72)67-35-14-18-39-73(67)87)65-33-24-27-60(55-65)88-74-40-19-15-36-68(74)69-37-16-20-41-75(69)88;1-3-26-56(27-4-1)83(57-28-5-2-6-29-57)75-49-48-55(81-70-42-17-11-36-64(70)65-37-12-18-43-71(65)81)52-73(75)82-72-44-19-20-45-74(72)84(77-47-23-46-76(83)78(77)82,58-30-21-24-53(50-58)79-66-38-13-7-32-60(66)61-33-8-14-39-67(61)79)59-31-22-25-54(51-59)80-68-40-15-9-34-62(68)63-35-10-16-41-69(63)80/h7-56H,1-6H3;1-52H
InChIKeyKINXMJJAGQLUHB-UHFFFAOYSA-N
MW2315.16 g/mol
LogP30.25
Rot. Bonds14

About 14,14-bis(3-carbazol-9-ylphenyl)-5-(3,6-ditert-butylcarbazol-9-yl)-8,8-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;4-carbazol-9-yl-14,14-bis(3-carbazol-9-ylphenyl)-8,8-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene

14,14-bis(3-carbazol-9-ylphenyl)-5-(3,6-ditert-butylcarbazol-9-yl)-8,8-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;4-carbazol-9-yl-14,14-bis(3-carbazol-9-ylphenyl)-8,8-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene (PubChem CID 163710205) has the molecular formula C164H120N8Si4 and a molecular weight of 2315.16 g/mol. Its IUPAC name is 14,14-bis(3-carbazol-9-ylphenyl)-5-(3,6-ditert-butylcarbazol-9-yl)-8,8-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;4-carbazol-9-yl-14,14-bis(3-carbazol-9-ylphenyl)-8,8-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene.

Molecular Properties

Compound Name14,14-bis(3-carbazol-9-ylphenyl)-5-(3,6-ditert-butylcarbazol-9-yl)-8,8-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;4-carbazol-9-yl-14,14-bis(3-carbazol-9-ylphenyl)-8,8-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene
PubChem CID163710205
Molecular FormulaC164H120N8Si4
Molecular Weight2315.16 g/mol
Exact Mass2312.87
IUPAC Name14,14-bis(3-carbazol-9-ylphenyl)-5-(3,6-ditert-butylcarbazol-9-yl)-8,8-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;4-carbazol-9-yl-14,14-bis(3-carbazol-9-ylphenyl)-8,8-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1cccc3c1N2c1ccccc1[Si]3(c1cccc(-n2c3ccccc3c3ccccc32)c1)c1cccc(-n2c3ccccc3c3ccccc32)c1.c1ccc([Si]2(c3ccccc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3N3c4ccccc4[Si](c4cccc(-n5c6ccccc6c6ccccc65)c4)(c4cccc(-n5c6ccccc6c6ccccc65)c4)c4cccc2c43)cc1
InChIInChI=1S/C86H68N4Si2.C78H52N4Si2/c1-85(2,3)57-46-49-76-70(52-57)71-53-58(86(4,5)6)47-50-77(71)89(76)61-48-51-79-83(56-61)91(62-28-9-7-10-29-62,63-30-11-8-12-31-63)81-44-25-45-82-84(81)90(79)78-42-21-22-43-80(78)92(82,64-32-23-26-59(54-64)87-72-38-17-13-34-66(72)67-35-14-18-39-73(67)87)65-33-24-27-60(55-65)88-74-40-19-15-36-68(74)69-37-16-20-41-75(69)88;1-3-26-56(27-4-1)83(57-28-5-2-6-29-57)75-49-48-55(81-70-42-17-11-36-64(70)65-37-12-18-43-71(65)81)52-73(75)82-72-44-19-20-45-74(72)84(77-47-23-46-76(83)78(77)82,58-30-21-24-53(50-58)79-66-38-13-7-32-60(66)61-33-8-14-39-67(61)79)59-31-22-25-54(51-59)80-68-40-15-9-34-62(68)63-35-10-16-41-69(63)80/h7-56H,1-6H3;1-52H
InChIKeyKINXMJJAGQLUHB-UHFFFAOYSA-N
XLogP30.25
TPSA36.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms176
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002315.16
LogP ≤ 530.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 14,14-bis(3-carbazol-9-ylphenyl)-5-(3,6-ditert-butylcarbazol-9-yl)-8,8-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;4-carbazol-9-yl-14,14-bis(3-carbazol-9-ylphenyl)-8,8-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene with MolForge

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Related Compounds

14-(3-carbazol-9-ylphenyl)-5-[3-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-8,8,14-triphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene
CID 162769054
5-(3,6-ditert-butylcarbazol-9-yl)-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 162769011
8-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-8,14,14-triphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 162769013
8,8-bis(3-carbazol-9-ylphenyl)-14,14-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 162768964
4-bromo-5-(2-bromophenyl)-10-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-10-phenylbenzo[b][1,4]benzazasiline
CID 162769048
11-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-(3,6-ditert-butylcarbazol-9-yl)-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;triphenyl-[9-(8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazol-2-yl]silane
CID 163847646
triphenyl-[9-(8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)-6-triphenylsilylcarbazol-3-yl]silane
CID 162769037
11-(3-carbazol-9-ylcarbazol-9-yl)-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-carbazol-9-yl-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-(3,6-dimethylcarbazol-9-yl)-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 163736239
triphenyl-[9-[3-(8,14,14-triphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)phenyl]-6-triphenylsilylcarbazol-3-yl]silane
CID 162768985
10,10-diphenyl-5-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[b][1,4]benzazasiline
CID 90393939
2-carbazol-9-yl-8-[3-[9-(2-carbazol-9-yl-5-methyl-10,10-diphenylbenzo[b][1,4]benzazasilin-8-yl)carbazol-3-yl]carbazol-9-yl]-5,10,10-triphenylbenzo[b][1,4]benzazasiline
CID 146921753
3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314

Frequently Asked Questions

What is the IUPAC name of 14,14-bis(3-carbazol-9-ylphenyl)-5-(3,6-ditert-butylcarbazol-9-yl)-8,8-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;4-carbazol-9-yl-14,14-bis(3-carbazol-9-ylphenyl)-8,8-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene?
The IUPAC name of 14,14-bis(3-carbazol-9-ylphenyl)-5-(3,6-ditert-butylcarbazol-9-yl)-8,8-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;4-carbazol-9-yl-14,14-bis(3-carbazol-9-ylphenyl)-8,8-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene (CID 163710205) is 14,14-bis(3-carbazol-9-ylphenyl)-5-(3,6-ditert-butylcarbazol-9-yl)-8,8-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;4-carbazol-9-yl-14,14-bis(3-carbazol-9-ylphenyl)-8,8-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene.
What is the SMILES notation for 14,14-bis(3-carbazol-9-ylphenyl)-5-(3,6-ditert-butylcarbazol-9-yl)-8,8-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;4-carbazol-9-yl-14,14-bis(3-carbazol-9-ylphenyl)-8,8-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene?
The canonical SMILES for 14,14-bis(3-carbazol-9-ylphenyl)-5-(3,6-ditert-butylcarbazol-9-yl)-8,8-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;4-carbazol-9-yl-14,14-bis(3-carbazol-9-ylphenyl)-8,8-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1cccc3c1N2c1ccccc1[Si]3(c1cccc(-n2c3ccccc3c3ccccc32)c1)c1cccc(-n2c3ccccc3c3ccccc32)c1.c1ccc([Si]2(c3ccccc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3N3c4ccccc4[Si](c4cccc(-n5c6ccccc6c6ccccc65)c4)(c4cccc(-n5c6ccccc6c6ccccc65)c4)c4cccc2c43)cc1.
What is the InChIKey of 14,14-bis(3-carbazol-9-ylphenyl)-5-(3,6-ditert-butylcarbazol-9-yl)-8,8-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;4-carbazol-9-yl-14,14-bis(3-carbazol-9-ylphenyl)-8,8-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene?
The InChIKey is KINXMJJAGQLUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H68N4Si2.C78H52N4Si2/c1-85(2,3)57-46-49-76-70(52-57)71-53-58(86(4,5)6)47-50-77(71)89(76)61-48-51-79-83(56-61)91(62-28-9-7-10-29-62,63-30-11-8-12-31-63)81-44-25-45-82-84(81)90(79)78-42-21-22-43-80(78)92(82,64-32-23-26-59(54-64)87-72-38-17-13-34-66(72)67-35-14-18-39-73(67)87)65-33-24-27-60(55-65)88-74-40-19-15-36-68(74)69-37-16-20-41-75(69)88;1-3-26-56(27-4-1)83(57-28-5-2-6-29-57)75-49-48-55(81-70-42-17-11-36-64(70)65-37-12-18-43-71(65)81)52-73(75)82-72-44-19-20-45-74(72)84(77-47-23-46-76(83)78(77)82,58-30-21-24-53(50-58)79-66-38-13-7-32-60(66)61-33-8-14-39-67(61)79)59-31-22-25-54(51-59)80-68-40-15-9-34-62(68)63-35-10-16-41-69(63)80/h7-56H,1-6H3;1-52H.
What are the key properties of 14,14-bis(3-carbazol-9-ylphenyl)-5-(3,6-ditert-butylcarbazol-9-yl)-8,8-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;4-carbazol-9-yl-14,14-bis(3-carbazol-9-ylphenyl)-8,8-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene?
14,14-bis(3-carbazol-9-ylphenyl)-5-(3,6-ditert-butylcarbazol-9-yl)-8,8-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;4-carbazol-9-yl-14,14-bis(3-carbazol-9-ylphenyl)-8,8-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene has a molecular weight of 2315.16 g/mol, XLogP of 30.25, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14-bis(3-carbazol-9-ylphenyl)-5-(3,6-ditert-butylcarbazol-9-yl)-8,8-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;4-carbazol-9-yl-14,14-bis(3-carbazol-9-ylphenyl)-8,8-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene is sourced from PubChem (CID 163710205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).