4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12,14-bis[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene

C116H70N8 — CID 122466364

IUPAC4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12,14-bis[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc(-c6ccc(-n7c8ccccc8c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)ccc87)cc6)c6c(n5)-c5cccc7c(-n8c9ccccc9c9cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)ccc98)ccc-6c57)cc4)ccc32)cc1
InChIInChI=1S/C116H70N8/c1-4-23-79(24-5-1)119-99-37-16-10-29-84(99)93-65-73(47-58-106(93)119)75-50-61-109-96(68-75)87-32-13-19-40-102(87)122(109)82-53-43-71(44-54-82)114-113-91-57-64-105(124-104-42-21-15-34-89(104)98-70-78(52-63-111(98)124)77-49-60-108-95(67-77)86-31-12-18-39-101(86)121(108)81-27-8-3-9-28-81)90-35-22-36-92(112(90)91)115(113)118-116(117-114)72-45-55-83(56-46-72)123-103-41-20-14-33-88(103)97-69-76(51-62-110(97)123)74-48-59-107-94(66-74)85-30-11-17-38-100(85)120(107)80-25-6-2-7-26-80/h1-70H
InChIKeyQJXUQWIUOHYZAZ-UHFFFAOYSA-N
MW1575.89 g/mol
LogP30.19
Rot. Bonds11

About 4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12,14-bis[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene

4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12,14-bis[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene (PubChem CID 122466364) has the molecular formula C116H70N8 and a molecular weight of 1575.89 g/mol. Its IUPAC name is 4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12,14-bis[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene.

Molecular Properties

Compound Name4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12,14-bis[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
PubChem CID122466364
Molecular FormulaC116H70N8
Molecular Weight1575.89 g/mol
Exact Mass1574.57
IUPAC Name4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12,14-bis[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc(-c6ccc(-n7c8ccccc8c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)ccc87)cc6)c6c(n5)-c5cccc7c(-n8c9ccccc9c9cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)ccc98)ccc-6c57)cc4)ccc32)cc1
InChIInChI=1S/C116H70N8/c1-4-23-79(24-5-1)119-99-37-16-10-29-84(99)93-65-73(47-58-106(93)119)75-50-61-109-96(68-75)87-32-13-19-40-102(87)122(109)82-53-43-71(44-54-82)114-113-91-57-64-105(124-104-42-21-15-34-89(104)98-70-78(52-63-111(98)124)77-49-60-108-95(67-77)86-31-12-18-39-101(86)121(108)81-27-8-3-9-28-81)90-35-22-36-92(112(90)91)115(113)118-116(117-114)72-45-55-83(56-46-72)123-103-41-20-14-33-88(103)97-69-76(51-62-110(97)123)74-48-59-107-94(66-74)85-30-11-17-38-100(85)120(107)80-25-6-2-7-26-80/h1-70H
InChIKeyQJXUQWIUOHYZAZ-UHFFFAOYSA-N
XLogP30.19
TPSA55.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms124
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001575.89
LogP ≤ 530.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12,14-bis[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene with MolForge

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Related Compounds

12,14-bis(4-carbazol-9-ylphenyl)-4-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 122466261
3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 71291323
14-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-12-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 122466347
4,14-bis[4-[3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-12-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene;4-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-14-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-12-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 159471694
3-[9-(4-fluoranthen-3-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 71291329
3-[9-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 155120354
5-[3-[4-(2-carbazol-9-yl-4-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole
CID 139303805
17,19-diphenyl-10-(9-phenylcarbazol-3-yl)-14,16,18-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
CID 121385989
12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 122466417
3-[9-[9-[2-carbazol-9-yl-4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]carbazol-3-yl]-9-phenylcarbazole;4-[9-[9-[2-carbazol-9-yl-5-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[2-carbazol-9-yl-5-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-(9-phenylcarbazol-3-yl)carbazole
CID 158305349
3-[9-[2-carbazol-9-yl-5-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[2-carbazol-9-yl-4-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[2-carbazol-9-yl-5-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 159326922
3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole
CID 90211376

Frequently Asked Questions

What is the IUPAC name of 4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12,14-bis[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?
The IUPAC name of 4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12,14-bis[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene (CID 122466364) is 4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12,14-bis[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene.
What is the SMILES notation for 4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12,14-bis[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?
The canonical SMILES for 4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12,14-bis[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc(-c6ccc(-n7c8ccccc8c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)ccc87)cc6)c6c(n5)-c5cccc7c(-n8c9ccccc9c9cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)ccc98)ccc-6c57)cc4)ccc32)cc1.
What is the InChIKey of 4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12,14-bis[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?
The InChIKey is QJXUQWIUOHYZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C116H70N8/c1-4-23-79(24-5-1)119-99-37-16-10-29-84(99)93-65-73(47-58-106(93)119)75-50-61-109-96(68-75)87-32-13-19-40-102(87)122(109)82-53-43-71(44-54-82)114-113-91-57-64-105(124-104-42-21-15-34-89(104)98-70-78(52-63-111(98)124)77-49-60-108-95(67-77)86-31-12-18-39-101(86)121(108)81-27-8-3-9-28-81)90-35-22-36-92(112(90)91)115(113)118-116(117-114)72-45-55-83(56-46-72)123-103-41-20-14-33-88(103)97-69-76(51-62-110(97)123)74-48-59-107-94(66-74)85-30-11-17-38-100(85)120(107)80-25-6-2-7-26-80/h1-70H.
What are the key properties of 4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12,14-bis[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?
4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12,14-bis[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene has a molecular weight of 1575.89 g/mol, XLogP of 30.19, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12,14-bis[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene is sourced from PubChem (CID 122466364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).