3-(9-methylcarbazol-3-yl)-9-phenyl-5-(9-phenylcarbazol-2-yl)carbazole

C49H33N3 — CID 126630361

IUPAC3-(9-methylcarbazol-3-yl)-9-phenyl-5-(9-phenylcarbazol-2-yl)carbazole
SMILESCn1c2ccccc2c2cc(-c3ccc4c(c3)c3c(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cccc3n4-c3ccccc3)ccc21
InChIInChI=1S/C49H33N3/c1-50-43-20-10-8-18-39(43)41-29-32(24-27-44(41)50)33-25-28-46-42(30-33)49-37(19-12-22-47(49)51(46)35-13-4-2-5-14-35)34-23-26-40-38-17-9-11-21-45(38)52(48(40)31-34)36-15-6-3-7-16-36/h2-31H,1H3
InChIKeyZOLWQDDDJBFRPK-UHFFFAOYSA-N
MW663.82 g/mol
LogP12.86
Rot. Bonds4

About 3-(9-methylcarbazol-3-yl)-9-phenyl-5-(9-phenylcarbazol-2-yl)carbazole

3-(9-methylcarbazol-3-yl)-9-phenyl-5-(9-phenylcarbazol-2-yl)carbazole (PubChem CID 126630361) has the molecular formula C49H33N3 and a molecular weight of 663.82 g/mol. Its IUPAC name is 3-(9-methylcarbazol-3-yl)-9-phenyl-5-(9-phenylcarbazol-2-yl)carbazole.

Molecular Properties

Compound Name3-(9-methylcarbazol-3-yl)-9-phenyl-5-(9-phenylcarbazol-2-yl)carbazole
PubChem CID126630361
Molecular FormulaC49H33N3
Molecular Weight663.82 g/mol
Exact Mass663.27
IUPAC Name3-(9-methylcarbazol-3-yl)-9-phenyl-5-(9-phenylcarbazol-2-yl)carbazole
SMILESCn1c2ccccc2c2cc(-c3ccc4c(c3)c3c(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cccc3n4-c3ccccc3)ccc21
InChIInChI=1S/C49H33N3/c1-50-43-20-10-8-18-39(43)41-29-32(24-27-44(41)50)33-25-28-46-42(30-33)49-37(19-12-22-47(49)51(46)35-13-4-2-5-14-35)34-23-26-40-38-17-9-11-21-45(38)52(48(40)31-34)36-15-6-3-7-16-36/h2-31H,1H3
InChIKeyZOLWQDDDJBFRPK-UHFFFAOYSA-N
XLogP12.86
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.82
LogP ≤ 512.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzene;3-(9-methylcarbazol-3-yl)-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole;6-(9-methylcarbazol-3-yl)-9-phenyl-1-(9-phenylcarbazol-2-yl)carbazole;6-(9-methylcarbazol-3-yl)-9-phenyl-2-(9-phenylcarbazol-2-yl)carbazole;9-methyl-5-(9-phenylcarbazol-2-yl)-3-(9-phenylcarbazol-3-yl)carbazole
CID 160731182
3-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole;3-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-(9-phenylcarbazol-2-yl)-9-(4-phenylphenyl)carbazole;4-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole;9-phenyl-2-(9-phenylcarbazol-2-yl)carbazole
CID 161127912
9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole
CID 134369783
1-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 159875127
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 162115946
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;5-phenyl-3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160685377
9-phenyl-5-(4-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 170073009
3,9-diphenyl-6-[2-(9-phenylcarbazol-2-yl)-5-[4-[3-[2-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-9-yl]carbazol-9-yl]phenyl]carbazol-9-yl]carbazole
CID 137420817
5-phenanthren-3-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 134369812
9-phenyl-4-[7-[3-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]triphenylen-2-yl]carbazole
CID 126548022
6-(9-methylcarbazol-2-yl)-9-phenyl-1-(9-phenylcarbazol-2-yl)carbazole;toluene
CID 144919758
4-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 165386055

Frequently Asked Questions

What is the IUPAC name of 3-(9-methylcarbazol-3-yl)-9-phenyl-5-(9-phenylcarbazol-2-yl)carbazole?
The IUPAC name of 3-(9-methylcarbazol-3-yl)-9-phenyl-5-(9-phenylcarbazol-2-yl)carbazole (CID 126630361) is 3-(9-methylcarbazol-3-yl)-9-phenyl-5-(9-phenylcarbazol-2-yl)carbazole.
What is the SMILES notation for 3-(9-methylcarbazol-3-yl)-9-phenyl-5-(9-phenylcarbazol-2-yl)carbazole?
The canonical SMILES for 3-(9-methylcarbazol-3-yl)-9-phenyl-5-(9-phenylcarbazol-2-yl)carbazole is Cn1c2ccccc2c2cc(-c3ccc4c(c3)c3c(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cccc3n4-c3ccccc3)ccc21.
What is the InChIKey of 3-(9-methylcarbazol-3-yl)-9-phenyl-5-(9-phenylcarbazol-2-yl)carbazole?
The InChIKey is ZOLWQDDDJBFRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N3/c1-50-43-20-10-8-18-39(43)41-29-32(24-27-44(41)50)33-25-28-46-42(30-33)49-37(19-12-22-47(49)51(46)35-13-4-2-5-14-35)34-23-26-40-38-17-9-11-21-45(38)52(48(40)31-34)36-15-6-3-7-16-36/h2-31H,1H3.
What are the key properties of 3-(9-methylcarbazol-3-yl)-9-phenyl-5-(9-phenylcarbazol-2-yl)carbazole?
3-(9-methylcarbazol-3-yl)-9-phenyl-5-(9-phenylcarbazol-2-yl)carbazole has a molecular weight of 663.82 g/mol, XLogP of 12.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-methylcarbazol-3-yl)-9-phenyl-5-(9-phenylcarbazol-2-yl)carbazole is sourced from PubChem (CID 126630361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).