9-[4-[4-[4-[4-(4-carbazol-9-yl-3-methylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole

C55H38N2 — CID 59742225

IUPAC9-[4-[4-[4-[4-(4-carbazol-9-yl-3-methylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
SMILESCc1cc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)cc3)cc2)ccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C55H38N2/c1-37-36-45(32-35-51(37)57-54-16-8-4-12-49(54)50-13-5-9-17-55(50)57)44-28-26-41(27-29-44)40-20-18-38(19-21-40)39-22-24-42(25-23-39)43-30-33-46(34-31-43)56-52-14-6-2-10-47(52)48-11-3-7-15-53(48)56/h2-36H,1H3
InChIKeyZHNGXCUVQSKHMU-UHFFFAOYSA-N
MW726.92 g/mol
LogP14.86
Rot. Bonds6

About 9-[4-[4-[4-[4-(4-carbazol-9-yl-3-methylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole

9-[4-[4-[4-[4-(4-carbazol-9-yl-3-methylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole (PubChem CID 59742225) has the molecular formula C55H38N2 and a molecular weight of 726.92 g/mol. Its IUPAC name is 9-[4-[4-[4-[4-(4-carbazol-9-yl-3-methylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4-[4-[4-(4-carbazol-9-yl-3-methylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
PubChem CID59742225
Molecular FormulaC55H38N2
Molecular Weight726.92 g/mol
Exact Mass726.30
IUPAC Name9-[4-[4-[4-[4-(4-carbazol-9-yl-3-methylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
SMILESCc1cc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)cc3)cc2)ccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C55H38N2/c1-37-36-45(32-35-51(37)57-54-16-8-4-12-49(54)50-13-5-9-17-55(50)57)44-28-26-41(27-29-44)40-20-18-38(19-21-40)39-22-24-42(25-23-39)43-30-33-46(34-31-43)56-52-14-6-2-10-47(52)48-11-3-7-15-53(48)56/h2-36H,1H3
InChIKeyZHNGXCUVQSKHMU-UHFFFAOYSA-N
XLogP14.86
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.92
LogP ≤ 514.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(2-methyl-4-phenylphenyl)carbazole
CID 143868574
2,5-bis(4-carbazol-9-yl-3-methylphenyl)-3,6-bis(4-carbazol-9-ylphenyl)benzene-1,4-dicarbonitrile;2-(4-carbazol-9-yl-3-methylphenyl)-3,5,6-tris(4-carbazol-9-ylphenyl)benzene-1,4-dicarbonitrile;2,3,5,6-tetrakis(4-carbazol-9-yl-3-methylphenyl)benzene-1,4-dicarbonitrile
CID 160585652
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane
CID 143126318
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]carbazole
CID 130352928
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
9-(2,4-dimethylphenyl)-2-[9-(2,4-dimethylphenyl)carbazol-2-yl]carbazole
CID 59935132
3-[4-[9-[4-(4-methylphenyl)phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 121287007
5,6-di(carbazol-9-yl)-2-[4-[4-[5,6-di(carbazol-9-yl)-1,3-dioxoisoindol-2-yl]-3-methylphenyl]-2-methylphenyl]isoindole-1,3-dione;5,6-di(carbazol-9-yl)-2-[4-[4-[5,6-di(carbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione
CID 161039264
9-[4-carbazol-9-yl-2-[4-(4-methylphenyl)phenyl]phenyl]carbazole
CID 59742203

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[4-[4-(4-carbazol-9-yl-3-methylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole?
The IUPAC name of 9-[4-[4-[4-[4-(4-carbazol-9-yl-3-methylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole (CID 59742225) is 9-[4-[4-[4-[4-(4-carbazol-9-yl-3-methylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[4-[4-[4-(4-carbazol-9-yl-3-methylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[4-[4-[4-(4-carbazol-9-yl-3-methylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole is Cc1cc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)cc3)cc2)ccc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[4-[4-[4-[4-(4-carbazol-9-yl-3-methylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole?
The InChIKey is ZHNGXCUVQSKHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2/c1-37-36-45(32-35-51(37)57-54-16-8-4-12-49(54)50-13-5-9-17-55(50)57)44-28-26-41(27-29-44)40-20-18-38(19-21-40)39-22-24-42(25-23-39)43-30-33-46(34-31-43)56-52-14-6-2-10-47(52)48-11-3-7-15-53(48)56/h2-36H,1H3.
What are the key properties of 9-[4-[4-[4-[4-(4-carbazol-9-yl-3-methylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole?
9-[4-[4-[4-[4-(4-carbazol-9-yl-3-methylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole has a molecular weight of 726.92 g/mol, XLogP of 14.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[4-[4-(4-carbazol-9-yl-3-methylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole is sourced from PubChem (CID 59742225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).