9-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole

C96H62N8 — CID 162500533

IUPAC9-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3cccc(-c4ccc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C96H62N8/c1-9-26-63(27-10-1)71-44-52-87-81(57-71)82-58-72(64-28-11-2-12-29-64)45-53-88(82)103(87)77-48-50-79(85(61-77)95-99-91(67-34-17-5-18-35-67)97-92(100-95)68-36-19-6-20-37-68)75-42-25-43-76(56-75)80-51-49-78(62-86(80)96-101-93(69-38-21-7-22-39-69)98-94(102-96)70-40-23-8-24-41-70)104-89-54-46-73(65-30-13-3-14-31-65)59-83(89)84-60-74(47-55-90(84)104)66-32-15-4-16-33-66/h1-62H
InChIKeyDRYCDSTYHWZMGY-UHFFFAOYSA-N
MW1327.61 g/mol
LogP24.25
Rot. Bonds14

About 9-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole

9-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole (PubChem CID 162500533) has the molecular formula C96H62N8 and a molecular weight of 1327.61 g/mol. Its IUPAC name is 9-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole
PubChem CID162500533
Molecular FormulaC96H62N8
Molecular Weight1327.61 g/mol
Exact Mass1326.51
IUPAC Name9-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3cccc(-c4ccc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C96H62N8/c1-9-26-63(27-10-1)71-44-52-87-81(57-71)82-58-72(64-28-11-2-12-29-64)45-53-88(82)103(87)77-48-50-79(85(61-77)95-99-91(67-34-17-5-18-35-67)97-92(100-95)68-36-19-6-20-37-68)75-42-25-43-76(56-75)80-51-49-78(62-86(80)96-101-93(69-38-21-7-22-39-69)98-94(102-96)70-40-23-8-24-41-70)104-89-54-46-73(65-30-13-3-14-31-65)59-83(89)84-60-74(47-55-90(84)104)66-32-15-4-16-33-66/h1-62H
InChIKeyDRYCDSTYHWZMGY-UHFFFAOYSA-N
XLogP24.25
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001327.61
LogP ≤ 524.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 9-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole with MolForge

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Related Compounds

9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-3,6-diphenylcarbazole
CID 142560205
3-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,9-diphenylcarbazole
CID 146648749
3,6-bis(3,6-diphenylcarbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 90308422
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-3-phenylcarbazole
CID 142543967
2-[4-[2-(3-cyanophenyl)-5-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)benzonitrile
CID 170664965
3,6-diphenyl-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 153302022
3-[9-[4-[4-(2,5-diphenylphenyl)-6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134236859
3-[4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[4-[5-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(3-cyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 154950393
9-[4-[3-[4-(3,6-dicyanocarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 166899538
3-(9-phenylcarbazol-3-yl)-9-[3-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 134236877
3-[9-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511500
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(trifluoromethyl)phenyl]phenyl]-3-phenylcarbazole
CID 156509854

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole?
The IUPAC name of 9-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole (CID 162500533) is 9-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole.
What is the SMILES notation for 9-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole?
The canonical SMILES for 9-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3cccc(-c4ccc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 9-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole?
The InChIKey is DRYCDSTYHWZMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H62N8/c1-9-26-63(27-10-1)71-44-52-87-81(57-71)82-58-72(64-28-11-2-12-29-64)45-53-88(82)103(87)77-48-50-79(85(61-77)95-99-91(67-34-17-5-18-35-67)97-92(100-95)68-36-19-6-20-37-68)75-42-25-43-76(56-75)80-51-49-78(62-86(80)96-101-93(69-38-21-7-22-39-69)98-94(102-96)70-40-23-8-24-41-70)104-89-54-46-73(65-30-13-3-14-31-65)59-83(89)84-60-74(47-55-90(84)104)66-32-15-4-16-33-66/h1-62H.
What are the key properties of 9-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole?
9-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole has a molecular weight of 1327.61 g/mol, XLogP of 24.25, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole is sourced from PubChem (CID 162500533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).