9-[4-[2-(4-carbazol-9-ylphenyl)-4-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]carbazole

C60H40N2 — CID 58943813

IUPAC9-[4-[2-(4-carbazol-9-ylphenyl)-4-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3cccc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c4)c3)cc2)cc1
InChIInChI=1S/C60H40N2/c1-2-13-41(14-3-1)42-25-27-43(28-26-42)46-15-12-16-47(39-46)48-33-38-51(44-29-34-49(35-30-44)61-57-21-8-4-17-52(57)53-18-5-9-22-58(53)61)56(40-48)45-31-36-50(37-32-45)62-59-23-10-6-19-54(59)55-20-7-11-24-60(55)62/h1-40H
InChIKeyDZMGZYSTWJOMKQ-UHFFFAOYSA-N
MW788.99 g/mol
LogP16.22
Rot. Bonds7

About 9-[4-[2-(4-carbazol-9-ylphenyl)-4-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]carbazole

9-[4-[2-(4-carbazol-9-ylphenyl)-4-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]carbazole (PubChem CID 58943813) has the molecular formula C60H40N2 and a molecular weight of 788.99 g/mol. Its IUPAC name is 9-[4-[2-(4-carbazol-9-ylphenyl)-4-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[2-(4-carbazol-9-ylphenyl)-4-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]carbazole
PubChem CID58943813
Molecular FormulaC60H40N2
Molecular Weight788.99 g/mol
Exact Mass788.32
IUPAC Name9-[4-[2-(4-carbazol-9-ylphenyl)-4-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3cccc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c4)c3)cc2)cc1
InChIInChI=1S/C60H40N2/c1-2-13-41(14-3-1)42-25-27-43(28-26-42)46-15-12-16-47(39-46)48-33-38-51(44-29-34-49(35-30-44)61-57-21-8-4-17-52(57)53-18-5-9-22-58(53)61)56(40-48)45-31-36-50(37-32-45)62-59-23-10-6-19-54(59)55-20-7-11-24-60(55)62/h1-40H
InChIKeyDZMGZYSTWJOMKQ-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

9-[4-[4-(4-carbazol-9-ylphenyl)-2-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 58879507
9-[4-[2-(4-carbazol-9-ylphenyl)-4-(2,5-diphenylphenyl)phenyl]phenyl]carbazole
CID 58943802
9-[4-[3-(4-carbazol-9-ylphenyl)-4-(2,4,5-triphenylphenyl)phenyl]phenyl]carbazole
CID 58943753
9-[4-[3-(3,5-diphenylphenyl)phenyl]phenyl]carbazole
CID 118595106
9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 159046230
9-[4-[2-(4-carbazol-9-ylphenyl)-4-(2,4,6-triphenylphenyl)phenyl]phenyl]carbazole
CID 58943784
3-[9-[3-(2,4-diphenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 144560233
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590375
2-[9-(4-phenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 138747135
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590322
9-phenyl-3-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[2-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[2-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole
CID 160831831
3-carbazol-9-yl-9-[3-(2,5-diphenylphenyl)-4-phenylphenyl]carbazole
CID 146872026

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-(4-carbazol-9-ylphenyl)-4-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]carbazole?
The IUPAC name of 9-[4-[2-(4-carbazol-9-ylphenyl)-4-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]carbazole (CID 58943813) is 9-[4-[2-(4-carbazol-9-ylphenyl)-4-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[2-(4-carbazol-9-ylphenyl)-4-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[2-(4-carbazol-9-ylphenyl)-4-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]carbazole is c1ccc(-c2ccc(-c3cccc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c4)c3)cc2)cc1.
What is the InChIKey of 9-[4-[2-(4-carbazol-9-ylphenyl)-4-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]carbazole?
The InChIKey is DZMGZYSTWJOMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2/c1-2-13-41(14-3-1)42-25-27-43(28-26-42)46-15-12-16-47(39-46)48-33-38-51(44-29-34-49(35-30-44)61-57-21-8-4-17-52(57)53-18-5-9-22-58(53)61)56(40-48)45-31-36-50(37-32-45)62-59-23-10-6-19-54(59)55-20-7-11-24-60(55)62/h1-40H.
What are the key properties of 9-[4-[2-(4-carbazol-9-ylphenyl)-4-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]carbazole?
9-[4-[2-(4-carbazol-9-ylphenyl)-4-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]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 9-[4-[2-(4-carbazol-9-ylphenyl)-4-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]carbazole is sourced from PubChem (CID 58943813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).