11-[5-benzo[a]carbazol-11-yl-3,6-di(carbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzo[a]carbazole

C76H46N8 — CID 146511697

IUPAC11-[5-benzo[a]carbazol-11-yl-3,6-di(carbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzo[a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccc6ccccc6c54)nc(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccc5ccccc5c43)n2)cc1
InChIInChI=1S/C76H46N8/c1-3-25-49(26-4-1)72-77-73(50-27-5-2-6-28-50)79-74(78-72)67-70(81-61-37-17-11-31-53(61)54-32-12-18-38-62(54)81)76(84-66-42-22-16-36-58(66)60-46-44-48-24-8-10-30-52(48)69(60)84)80-75(82-63-39-19-13-33-55(63)56-34-14-20-40-64(56)82)71(67)83-65-41-21-15-35-57(65)59-45-43-47-23-7-9-29-51(47)68(59)83/h1-46H
InChIKeyFVLDUZZNLMIIHT-UHFFFAOYSA-N
MW1071.26 g/mol
LogP18.96
Rot. Bonds7

About 11-[5-benzo[a]carbazol-11-yl-3,6-di(carbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzo[a]carbazole

11-[5-benzo[a]carbazol-11-yl-3,6-di(carbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzo[a]carbazole (PubChem CID 146511697) has the molecular formula C76H46N8 and a molecular weight of 1071.26 g/mol. Its IUPAC name is 11-[5-benzo[a]carbazol-11-yl-3,6-di(carbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzo[a]carbazole.

Molecular Properties

Compound Name11-[5-benzo[a]carbazol-11-yl-3,6-di(carbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzo[a]carbazole
PubChem CID146511697
Molecular FormulaC76H46N8
Molecular Weight1071.26 g/mol
Exact Mass1070.38
IUPAC Name11-[5-benzo[a]carbazol-11-yl-3,6-di(carbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzo[a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccc6ccccc6c54)nc(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccc5ccccc5c43)n2)cc1
InChIInChI=1S/C76H46N8/c1-3-25-49(26-4-1)72-77-73(50-27-5-2-6-28-50)79-74(78-72)67-70(81-61-37-17-11-31-53(61)54-32-12-18-38-62(54)81)76(84-66-42-22-16-36-58(66)60-46-44-48-24-8-10-30-52(48)69(60)84)80-75(82-63-39-19-13-33-55(63)56-34-14-20-40-64(56)82)71(67)83-65-41-21-15-35-57(65)59-45-43-47-23-7-9-29-51(47)68(59)83/h1-46H
InChIKeyFVLDUZZNLMIIHT-UHFFFAOYSA-N
XLogP18.96
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001071.26
LogP ≤ 518.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 11-[5-benzo[a]carbazol-11-yl-3,6-di(carbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzo[a]carbazole with MolForge

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Related Compounds

9-[4-[2,3-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,5,6-tri(carbazol-9-yl)-3-pyridinyl]carbazole
CID 158442826
11-benzo[a]carbazol-11-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155477363
11-[4-(4-chrysen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]carbazole
CID 170109348
11-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole
CID 135245189
11-[4-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole
CID 167032232
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-diphenylphenyl]carbazole
CID 176765501
15-benzo[a]carbazol-11-yl-13,17-diphenyl-12,14,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 170372176
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,9-diphenylcarbazole
CID 171438087
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-naphthalen-1-ylindolo[2,3-a]carbazole
CID 138623523
11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[a]carbazole
CID 164847730
11-[2-(4-benzo[c]phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]carbazole
CID 170109291
1-benzo[a]carbazol-11-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
CID 155477453

Frequently Asked Questions

What is the IUPAC name of 11-[5-benzo[a]carbazol-11-yl-3,6-di(carbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzo[a]carbazole?
The IUPAC name of 11-[5-benzo[a]carbazol-11-yl-3,6-di(carbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzo[a]carbazole (CID 146511697) is 11-[5-benzo[a]carbazol-11-yl-3,6-di(carbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzo[a]carbazole.
What is the SMILES notation for 11-[5-benzo[a]carbazol-11-yl-3,6-di(carbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzo[a]carbazole?
The canonical SMILES for 11-[5-benzo[a]carbazol-11-yl-3,6-di(carbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzo[a]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccc6ccccc6c54)nc(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccc5ccccc5c43)n2)cc1.
What is the InChIKey of 11-[5-benzo[a]carbazol-11-yl-3,6-di(carbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzo[a]carbazole?
The InChIKey is FVLDUZZNLMIIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H46N8/c1-3-25-49(26-4-1)72-77-73(50-27-5-2-6-28-50)79-74(78-72)67-70(81-61-37-17-11-31-53(61)54-32-12-18-38-62(54)81)76(84-66-42-22-16-36-58(66)60-46-44-48-24-8-10-30-52(48)69(60)84)80-75(82-63-39-19-13-33-55(63)56-34-14-20-40-64(56)82)71(67)83-65-41-21-15-35-57(65)59-45-43-47-23-7-9-29-51(47)68(59)83/h1-46H.
What are the key properties of 11-[5-benzo[a]carbazol-11-yl-3,6-di(carbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzo[a]carbazole?
11-[5-benzo[a]carbazol-11-yl-3,6-di(carbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzo[a]carbazole has a molecular weight of 1071.26 g/mol, XLogP of 18.96, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[5-benzo[a]carbazol-11-yl-3,6-di(carbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzo[a]carbazole is sourced from PubChem (CID 146511697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).