9-(2-methylphenyl)-4-[3-(9-phenyl-7,8-dihydrocarbazol-1-yl)cyclohexa-1,5-dien-1-yl]carbazole

C43H34N2 — CID 146185724

IUPAC9-(2-methylphenyl)-4-[3-(9-phenyl-7,8-dihydrocarbazol-1-yl)cyclohexa-1,5-dien-1-yl]carbazole
SMILESCc1ccccc1-n1c2ccccc2c2c(C3=CC(c4cccc5c6c(n(-c7ccccc7)c45)CCC=C6)CC=C3)cccc21
InChIInChI=1S/C43H34N2/c1-29-14-5-8-24-38(29)45-40-26-10-7-20-37(40)42-33(21-13-27-41(42)45)30-15-11-16-31(28-30)34-22-12-23-36-35-19-6-9-25-39(35)44(43(34)36)32-17-3-2-4-18-32/h2-8,10-15,17-24,26-28,31H,9,16,25H2,1H3
InChIKeyPOZUFMOBMUJTCT-UHFFFAOYSA-N
MW578.76 g/mol
LogP11.12
Rot. Bonds4

About 9-(2-methylphenyl)-4-[3-(9-phenyl-7,8-dihydrocarbazol-1-yl)cyclohexa-1,5-dien-1-yl]carbazole

9-(2-methylphenyl)-4-[3-(9-phenyl-7,8-dihydrocarbazol-1-yl)cyclohexa-1,5-dien-1-yl]carbazole (PubChem CID 146185724) has the molecular formula C43H34N2 and a molecular weight of 578.76 g/mol. Its IUPAC name is 9-(2-methylphenyl)-4-[3-(9-phenyl-7,8-dihydrocarbazol-1-yl)cyclohexa-1,5-dien-1-yl]carbazole.

Molecular Properties

Compound Name9-(2-methylphenyl)-4-[3-(9-phenyl-7,8-dihydrocarbazol-1-yl)cyclohexa-1,5-dien-1-yl]carbazole
PubChem CID146185724
Molecular FormulaC43H34N2
Molecular Weight578.76 g/mol
Exact Mass578.27
IUPAC Name9-(2-methylphenyl)-4-[3-(9-phenyl-7,8-dihydrocarbazol-1-yl)cyclohexa-1,5-dien-1-yl]carbazole
SMILESCc1ccccc1-n1c2ccccc2c2c(C3=CC(c4cccc5c6c(n(-c7ccccc7)c45)CCC=C6)CC=C3)cccc21
InChIInChI=1S/C43H34N2/c1-29-14-5-8-24-38(29)45-40-26-10-7-20-37(40)42-33(21-13-27-41(42)45)30-15-11-16-31(28-30)34-22-12-23-36-35-19-6-9-25-39(35)44(43(34)36)32-17-3-2-4-18-32/h2-8,10-15,17-24,26-28,31H,9,16,25H2,1H3
InChIKeyPOZUFMOBMUJTCT-UHFFFAOYSA-N
XLogP11.12
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.76
LogP ≤ 511.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(3-methylphenyl)-1-[3-[9-(3-methylphenyl)carbazol-1-yl]cyclohexa-1,5-dien-1-yl]carbazole
CID 71164642
4,15-diphenyl-4,15,24-triazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5(10),8,12,17(25),18,20,22,26-undecaen-24-amine
CID 163490862
9-[4-methyl-3-(2-methylphenyl)phenyl]-1,2-dihydrocarbazole
CID 129215312
5-[2-[3-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 126695503
9-(4-phenylphenyl)-5-[9-(4-phenylphenyl)-3,4,7,8-tetrahydrocarbazol-4-yl]-1,2-dihydrocarbazole
CID 142352784
5-[3-carbazol-9-yl-5-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]-12-[3-(12-phenyl-7a,12a-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]-10,11-dihydroindolo[3,2-c]carbazole
CID 163433425
4-(4-diphenylphosphorylphenyl)-9-[3-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]carbazole
CID 163512685
4-carbazol-9-yl-9-(2-methylphenyl)carbazole
CID 174273239
9-(3-dibenzofuran-2-ylphenyl)-1-[3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-1-yl]cyclohexa-1,5-dien-1-yl]carbazole
CID 71164662
9-cyclohexa-1,3-dien-1-yl-1-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-1-yl]carbazole
CID 169037269
1-carbazol-9-yl-5-[2-(9H-fluoren-9-yl)phenyl]-9-phenylcarbazole
CID 166002984
5-phenyl-7,8-dihydro-6H-cyclohepta[b]indole
CID 143532296

Frequently Asked Questions

What is the IUPAC name of 9-(2-methylphenyl)-4-[3-(9-phenyl-7,8-dihydrocarbazol-1-yl)cyclohexa-1,5-dien-1-yl]carbazole?
The IUPAC name of 9-(2-methylphenyl)-4-[3-(9-phenyl-7,8-dihydrocarbazol-1-yl)cyclohexa-1,5-dien-1-yl]carbazole (CID 146185724) is 9-(2-methylphenyl)-4-[3-(9-phenyl-7,8-dihydrocarbazol-1-yl)cyclohexa-1,5-dien-1-yl]carbazole.
What is the SMILES notation for 9-(2-methylphenyl)-4-[3-(9-phenyl-7,8-dihydrocarbazol-1-yl)cyclohexa-1,5-dien-1-yl]carbazole?
The canonical SMILES for 9-(2-methylphenyl)-4-[3-(9-phenyl-7,8-dihydrocarbazol-1-yl)cyclohexa-1,5-dien-1-yl]carbazole is Cc1ccccc1-n1c2ccccc2c2c(C3=CC(c4cccc5c6c(n(-c7ccccc7)c45)CCC=C6)CC=C3)cccc21.
What is the InChIKey of 9-(2-methylphenyl)-4-[3-(9-phenyl-7,8-dihydrocarbazol-1-yl)cyclohexa-1,5-dien-1-yl]carbazole?
The InChIKey is POZUFMOBMUJTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H34N2/c1-29-14-5-8-24-38(29)45-40-26-10-7-20-37(40)42-33(21-13-27-41(42)45)30-15-11-16-31(28-30)34-22-12-23-36-35-19-6-9-25-39(35)44(43(34)36)32-17-3-2-4-18-32/h2-8,10-15,17-24,26-28,31H,9,16,25H2,1H3.
What are the key properties of 9-(2-methylphenyl)-4-[3-(9-phenyl-7,8-dihydrocarbazol-1-yl)cyclohexa-1,5-dien-1-yl]carbazole?
9-(2-methylphenyl)-4-[3-(9-phenyl-7,8-dihydrocarbazol-1-yl)cyclohexa-1,5-dien-1-yl]carbazole has a molecular weight of 578.76 g/mol, XLogP of 11.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methylphenyl)-4-[3-(9-phenyl-7,8-dihydrocarbazol-1-yl)cyclohexa-1,5-dien-1-yl]carbazole is sourced from PubChem (CID 146185724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).