3-[9-[3-methyl-5-(3-methylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole

C44H32N2 — CID 134370775

IUPAC3-[9-[3-methyl-5-(3-methylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
SMILESCc1cccc(-c2cc(C)cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2)c1
InChIInChI=1S/C44H32N2/c1-29-11-10-12-31(23-29)34-24-30(2)25-36(26-34)46-42-18-9-7-16-38(42)40-28-33(20-22-44(40)46)32-19-21-43-39(27-32)37-15-6-8-17-41(37)45(43)35-13-4-3-5-14-35/h3-28H,1-2H3
InChIKeyRFCPNMHFECSBAK-UHFFFAOYSA-N
MW588.75 g/mol
LogP11.83
Rot. Bonds4

About 3-[9-[3-methyl-5-(3-methylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole

3-[9-[3-methyl-5-(3-methylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 134370775) has the molecular formula C44H32N2 and a molecular weight of 588.75 g/mol. Its IUPAC name is 3-[9-[3-methyl-5-(3-methylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[3-methyl-5-(3-methylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
PubChem CID134370775
Molecular FormulaC44H32N2
Molecular Weight588.75 g/mol
Exact Mass588.26
IUPAC Name3-[9-[3-methyl-5-(3-methylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
SMILESCc1cccc(-c2cc(C)cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2)c1
InChIInChI=1S/C44H32N2/c1-29-11-10-12-31(23-29)34-24-30(2)25-36(26-34)46-42-18-9-7-16-38(42)40-28-33(20-22-44(40)46)32-19-21-43-39(27-32)37-15-6-8-17-41(37)45(43)35-13-4-3-5-14-35/h3-28H,1-2H3
InChIKeyRFCPNMHFECSBAK-UHFFFAOYSA-N
XLogP11.83
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.75
LogP ≤ 511.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole;9-[3-(4-methylphenyl)phenyl]carbazole;9-[4-(3-methylphenyl)phenyl]carbazole;9-[4-(4-methylphenyl)phenyl]carbazole
CID 158304172
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-[3-(4-methylphenyl)phenyl]carbazole;9-[4-(3-methylphenyl)phenyl]carbazole;9-[4-(4-methylphenyl)phenyl]carbazole
CID 160614579
3-[9-[3-[4-(3,5-dimethylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134370607
3-[9-[3-(3,5-diphenylphenyl)-5-methylphenyl]carbazol-2-yl]-9-phenylcarbazole
CID 144560195
3-(3-methyl-5-phenylphenyl)-9-phenylcarbazole
CID 123628919
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole
CID 162048953
3,6-bis(3-carbazol-9-yl-5-methylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59307155
3-[9-[4-(3-methyl-5-phenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-methyl-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 157292241
9-[4-(3,5-dimethylphenyl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[4-(3,5-dimethylphenyl)phenyl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[4-[4-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 162173783
3-[9-[4-[3-(3-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[3-(4-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 160753219
3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole;3-[9-(3,5-dimethylphenyl)carbazol-2-yl]-9-[4-(3,5-dimethylphenyl)phenyl]carbazole;2-[9-[4-(3,5-dimethylphenyl)phenyl]carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole
CID 159256804
3-[9-(3-methyl-5-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 144560287

Frequently Asked Questions

What is the IUPAC name of 3-[9-[3-methyl-5-(3-methylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[3-methyl-5-(3-methylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole (CID 134370775) is 3-[9-[3-methyl-5-(3-methylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[3-methyl-5-(3-methylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[3-methyl-5-(3-methylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole is Cc1cccc(-c2cc(C)cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2)c1.
What is the InChIKey of 3-[9-[3-methyl-5-(3-methylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is RFCPNMHFECSBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N2/c1-29-11-10-12-31(23-29)34-24-30(2)25-36(26-34)46-42-18-9-7-16-38(42)40-28-33(20-22-44(40)46)32-19-21-43-39(27-32)37-15-6-8-17-41(37)45(43)35-13-4-3-5-14-35/h3-28H,1-2H3.
What are the key properties of 3-[9-[3-methyl-5-(3-methylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole?
3-[9-[3-methyl-5-(3-methylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 588.75 g/mol, XLogP of 11.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[3-methyl-5-(3-methylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 134370775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).