1,4,9-triphenyl-6-(5,8,9-triphenylcarbazol-1-yl)carbazole

C60H40N2 — CID 121449215

IUPAC1,4,9-triphenyl-6-(5,8,9-triphenylcarbazol-1-yl)carbazole
SMILESc1ccc(-c2ccc(-c3ccccc3)c3c2c2cc(-c4cccc5c6c(-c7ccccc7)ccc(-c7ccccc7)c6n(-c6ccccc6)c45)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C60H40N2/c1-7-20-41(21-8-1)48-35-38-52(44-26-13-4-14-27-44)60-56(48)53-33-19-32-50(58(53)62(60)47-30-17-6-18-31-47)45-34-39-55-54(40-45)57-49(42-22-9-2-10-23-42)36-37-51(43-24-11-3-12-25-43)59(57)61(55)46-28-15-5-16-29-46/h1-40H
InChIKeyXSFKIIXULAEBKY-UHFFFAOYSA-N
MW788.99 g/mol
LogP16.22
Rot. Bonds7

About 1,4,9-triphenyl-6-(5,8,9-triphenylcarbazol-1-yl)carbazole

1,4,9-triphenyl-6-(5,8,9-triphenylcarbazol-1-yl)carbazole (PubChem CID 121449215) has the molecular formula C60H40N2 and a molecular weight of 788.99 g/mol. Its IUPAC name is 1,4,9-triphenyl-6-(5,8,9-triphenylcarbazol-1-yl)carbazole.

Molecular Properties

Compound Name1,4,9-triphenyl-6-(5,8,9-triphenylcarbazol-1-yl)carbazole
PubChem CID121449215
Molecular FormulaC60H40N2
Molecular Weight788.99 g/mol
Exact Mass788.32
IUPAC Name1,4,9-triphenyl-6-(5,8,9-triphenylcarbazol-1-yl)carbazole
SMILESc1ccc(-c2ccc(-c3ccccc3)c3c2c2cc(-c4cccc5c6c(-c7ccccc7)ccc(-c7ccccc7)c6n(-c6ccccc6)c45)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C60H40N2/c1-7-20-41(21-8-1)48-35-38-52(44-26-13-4-14-27-44)60-56(48)53-33-19-32-50(58(53)62(60)47-30-17-6-18-31-47)45-34-39-55-54(40-45)57-49(42-22-9-2-10-23-42)36-37-51(43-24-11-3-12-25-43)59(57)61(55)46-28-15-5-16-29-46/h1-40H
InChIKeyXSFKIIXULAEBKY-UHFFFAOYSA-N
XLogP16.22
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.99
LogP ≤ 516.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-4-(9-phenylcarbazol-3-yl)carbazole
CID 134598241
1,9-diphenyl-4-[3-[2-(3-phenylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 166037080
3-(8,9-diphenylcarbazol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 166659528
1-(3-methyl-4-phenylphenyl)-9-phenylcarbazole
CID 146397471
3-(1,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166659999
9-phenyl-1-(3-triphenylen-2-ylphenyl)carbazole
CID 118014216
9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole
CID 134369783
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3,9-diphenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;1-phenyl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160580937
3-[4-[9-(2,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenyl-5-(3-phenylphenyl)carbazole
CID 139319565
9-phenyl-5-(4-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 170073009
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;5-phenyl-3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160685377
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 162115946

Frequently Asked Questions

What is the IUPAC name of 1,4,9-triphenyl-6-(5,8,9-triphenylcarbazol-1-yl)carbazole?
The IUPAC name of 1,4,9-triphenyl-6-(5,8,9-triphenylcarbazol-1-yl)carbazole (CID 121449215) is 1,4,9-triphenyl-6-(5,8,9-triphenylcarbazol-1-yl)carbazole.
What is the SMILES notation for 1,4,9-triphenyl-6-(5,8,9-triphenylcarbazol-1-yl)carbazole?
The canonical SMILES for 1,4,9-triphenyl-6-(5,8,9-triphenylcarbazol-1-yl)carbazole is c1ccc(-c2ccc(-c3ccccc3)c3c2c2cc(-c4cccc5c6c(-c7ccccc7)ccc(-c7ccccc7)c6n(-c6ccccc6)c45)ccc2n3-c2ccccc2)cc1.
What is the InChIKey of 1,4,9-triphenyl-6-(5,8,9-triphenylcarbazol-1-yl)carbazole?
The InChIKey is XSFKIIXULAEBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2/c1-7-20-41(21-8-1)48-35-38-52(44-26-13-4-14-27-44)60-56(48)53-33-19-32-50(58(53)62(60)47-30-17-6-18-31-47)45-34-39-55-54(40-45)57-49(42-22-9-2-10-23-42)36-37-51(43-24-11-3-12-25-43)59(57)61(55)46-28-15-5-16-29-46/h1-40H.
What are the key properties of 1,4,9-triphenyl-6-(5,8,9-triphenylcarbazol-1-yl)carbazole?
1,4,9-triphenyl-6-(5,8,9-triphenylcarbazol-1-yl)carbazole has a molecular weight of 788.99 g/mol, XLogP of 16.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,9-triphenyl-6-(5,8,9-triphenylcarbazol-1-yl)carbazole is sourced from PubChem (CID 121449215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).