9-[7-methyl-9-(2-methyl-5-phenylphenyl)-2,3,7,8-tetrahydrocarbazol-2-yl]carbazole

C38H32N2 — CID 130218043

IUPAC9-[7-methyl-9-(2-methyl-5-phenylphenyl)-2,3,7,8-tetrahydrocarbazol-2-yl]carbazole
SMILESCc1ccc(-c2ccccc2)cc1-n1c2c(c3c1=CC(n1c4ccccc4c4ccccc41)CC=3)C=CC(C)C2
InChIInChI=1S/C38H32N2/c1-25-16-20-32-33-21-19-29(39-34-14-8-6-12-30(34)31-13-7-9-15-35(31)39)24-38(33)40(37(32)22-25)36-23-28(18-17-26(36)2)27-10-4-3-5-11-27/h3-18,20-21,23-25,29H,19,22H2,1-2H3
InChIKeyQBDPOYSVRHGQNP-UHFFFAOYSA-N
MW516.69 g/mol
LogP7.97
Rot. Bonds3

About 9-[7-methyl-9-(2-methyl-5-phenylphenyl)-2,3,7,8-tetrahydrocarbazol-2-yl]carbazole

9-[7-methyl-9-(2-methyl-5-phenylphenyl)-2,3,7,8-tetrahydrocarbazol-2-yl]carbazole (PubChem CID 130218043) has the molecular formula C38H32N2 and a molecular weight of 516.69 g/mol. Its IUPAC name is 9-[7-methyl-9-(2-methyl-5-phenylphenyl)-2,3,7,8-tetrahydrocarbazol-2-yl]carbazole.

Molecular Properties

Compound Name9-[7-methyl-9-(2-methyl-5-phenylphenyl)-2,3,7,8-tetrahydrocarbazol-2-yl]carbazole
PubChem CID130218043
Molecular FormulaC38H32N2
Molecular Weight516.69 g/mol
Exact Mass516.26
IUPAC Name9-[7-methyl-9-(2-methyl-5-phenylphenyl)-2,3,7,8-tetrahydrocarbazol-2-yl]carbazole
SMILESCc1ccc(-c2ccccc2)cc1-n1c2c(c3c1=CC(n1c4ccccc4c4ccccc41)CC=3)C=CC(C)C2
InChIInChI=1S/C38H32N2/c1-25-16-20-32-33-21-19-29(39-34-14-8-6-12-30(34)31-13-7-9-15-35(31)39)24-38(33)40(37(32)22-25)36-23-28(18-17-26(36)2)27-10-4-3-5-11-27/h3-18,20-21,23-25,29H,19,22H2,1-2H3
InChIKeyQBDPOYSVRHGQNP-UHFFFAOYSA-N
XLogP7.97
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.69
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[9-(4-dibenzofuran-2-ylphenyl)-7-methyl-7,8-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159168669
9-(4,6-diphenylpyrimidin-2-yl)-2-methyl-6-phenyl-1,2-dihydrocarbazole
CID 145390737
9-[4-[2-(4-carbazol-9-ylcyclohexa-1,5-dien-1-yl)-5-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 143103822
3-[6-methyl-9-(4-phenylphenyl)-6,7-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 90261695
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-(3-phenylphenyl)cyclohexa-2,4-dien-1-yl]carbazole
CID 166859669
9-cyclohexa-2,4-dien-1-yl-3-phenylcarbazole
CID 129111739
triphenyl-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]cyclohexa-1,5-dien-1-yl]silane
CID 144943176
3-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118686609
3-phenyl-6-(9-phenylcarbazol-2-yl)-9-(5-phenylcyclohexa-2,4-dien-1-yl)carbazole
CID 145212544
3-(7-methyl-7,8-dihydrotriphenylen-2-yl)-9-[4-methyl-3-(2-methylphenyl)phenyl]carbazole
CID 131969747
N-(7-methyl-9-phenyl-7,8-dihydrocarbazol-3-yl)-N,9-diphenylcarbazol-3-amine
CID 163884371
3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-phenylcarbazole
CID 142322093

Frequently Asked Questions

What is the IUPAC name of 9-[7-methyl-9-(2-methyl-5-phenylphenyl)-2,3,7,8-tetrahydrocarbazol-2-yl]carbazole?
The IUPAC name of 9-[7-methyl-9-(2-methyl-5-phenylphenyl)-2,3,7,8-tetrahydrocarbazol-2-yl]carbazole (CID 130218043) is 9-[7-methyl-9-(2-methyl-5-phenylphenyl)-2,3,7,8-tetrahydrocarbazol-2-yl]carbazole.
What is the SMILES notation for 9-[7-methyl-9-(2-methyl-5-phenylphenyl)-2,3,7,8-tetrahydrocarbazol-2-yl]carbazole?
The canonical SMILES for 9-[7-methyl-9-(2-methyl-5-phenylphenyl)-2,3,7,8-tetrahydrocarbazol-2-yl]carbazole is Cc1ccc(-c2ccccc2)cc1-n1c2c(c3c1=CC(n1c4ccccc4c4ccccc41)CC=3)C=CC(C)C2.
What is the InChIKey of 9-[7-methyl-9-(2-methyl-5-phenylphenyl)-2,3,7,8-tetrahydrocarbazol-2-yl]carbazole?
The InChIKey is QBDPOYSVRHGQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N2/c1-25-16-20-32-33-21-19-29(39-34-14-8-6-12-30(34)31-13-7-9-15-35(31)39)24-38(33)40(37(32)22-25)36-23-28(18-17-26(36)2)27-10-4-3-5-11-27/h3-18,20-21,23-25,29H,19,22H2,1-2H3.
What are the key properties of 9-[7-methyl-9-(2-methyl-5-phenylphenyl)-2,3,7,8-tetrahydrocarbazol-2-yl]carbazole?
9-[7-methyl-9-(2-methyl-5-phenylphenyl)-2,3,7,8-tetrahydrocarbazol-2-yl]carbazole has a molecular weight of 516.69 g/mol, XLogP of 7.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7-methyl-9-(2-methyl-5-phenylphenyl)-2,3,7,8-tetrahydrocarbazol-2-yl]carbazole is sourced from PubChem (CID 130218043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).