9-(3-methylphenyl)-1-[3-[9-(3-methylphenyl)carbazol-1-yl]cyclohexa-1,5-dien-1-yl]carbazole

C44H34N2 — CID 71164642

IUPAC9-(3-methylphenyl)-1-[3-[9-(3-methylphenyl)carbazol-1-yl]cyclohexa-1,5-dien-1-yl]carbazole
SMILESCc1cccc(-n2c3ccccc3c3cccc(C4=CC(c5cccc6c7ccccc7n(-c7cccc(C)c7)c56)CC=C4)c32)c1
InChIInChI=1S/C44H34N2/c1-29-12-7-16-33(26-29)45-41-24-5-3-18-37(41)39-22-10-20-35(43(39)45)31-14-9-15-32(28-31)36-21-11-23-40-38-19-4-6-25-42(38)46(44(36)40)34-17-8-13-30(2)27-34/h3-14,16-28,32H,15H2,1-2H3
InChIKeyICBVPCCAXHSVKS-UHFFFAOYSA-N
MW590.77 g/mol
LogP11.62
Rot. Bonds4

About 9-(3-methylphenyl)-1-[3-[9-(3-methylphenyl)carbazol-1-yl]cyclohexa-1,5-dien-1-yl]carbazole

9-(3-methylphenyl)-1-[3-[9-(3-methylphenyl)carbazol-1-yl]cyclohexa-1,5-dien-1-yl]carbazole (PubChem CID 71164642) has the molecular formula C44H34N2 and a molecular weight of 590.77 g/mol. Its IUPAC name is 9-(3-methylphenyl)-1-[3-[9-(3-methylphenyl)carbazol-1-yl]cyclohexa-1,5-dien-1-yl]carbazole.

Molecular Properties

Compound Name9-(3-methylphenyl)-1-[3-[9-(3-methylphenyl)carbazol-1-yl]cyclohexa-1,5-dien-1-yl]carbazole
PubChem CID71164642
Molecular FormulaC44H34N2
Molecular Weight590.77 g/mol
Exact Mass590.27
IUPAC Name9-(3-methylphenyl)-1-[3-[9-(3-methylphenyl)carbazol-1-yl]cyclohexa-1,5-dien-1-yl]carbazole
SMILESCc1cccc(-n2c3ccccc3c3cccc(C4=CC(c5cccc6c7ccccc7n(-c7cccc(C)c7)c56)CC=C4)c32)c1
InChIInChI=1S/C44H34N2/c1-29-12-7-16-33(26-29)45-41-24-5-3-18-37(41)39-22-10-20-35(43(39)45)31-14-9-15-32(28-31)36-21-11-23-40-38-19-4-6-25-42(38)46(44(36)40)34-17-8-13-30(2)27-34/h3-14,16-28,32H,15H2,1-2H3
InChIKeyICBVPCCAXHSVKS-UHFFFAOYSA-N
XLogP11.62
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.77
LogP ≤ 511.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(3-dibenzofuran-2-ylphenyl)-1-[3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-1-yl]cyclohexa-1,5-dien-1-yl]carbazole
CID 71164662
1-[2-[9-(3-methylphenyl)-1,2-dihydrocarbazol-1-yl]phenyl]-9-phenylcarbazole
CID 146181878
ethane;9-(3-methylphenyl)carbazole
CID 143904684
3-carbazol-9-yl-9-[3-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
CID 130217889
1-(2-carbazol-9-ylcarbazol-9-yl)-9-[3-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
CID 170375920
9-(2-methylphenyl)-4-[3-(9-phenyl-7,8-dihydrocarbazol-1-yl)cyclohexa-1,5-dien-1-yl]carbazole
CID 146185724
1-(3,5-dimethylphenyl)-9-phenylcarbazole
CID 169054866
6-methyl-1-phenyl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170365229
3-methyl-9-(3-methylphenyl)-5-[3-(9-phenylcarbazol-1-yl)phenyl]carbazole
CID 146182046
3,21-bis(3-methylphenyl)-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaene
CID 156574320
9-phenyl-1-(9-phenyl-3,4-dihydrocarbazol-3-yl)carbazole
CID 118228720
9-methyl-1-phenylcarbazole;9-methyl-1-(4-phenylphenyl)carbazole;9-[3-(3-methylphenyl)phenyl]carbazole;9-(3-methylphenyl)-1-(4-phenylphenyl)carbazole;9-(4-methylphenyl)-1-(4-phenylphenyl)carbazole
CID 161442751

Frequently Asked Questions

What is the IUPAC name of 9-(3-methylphenyl)-1-[3-[9-(3-methylphenyl)carbazol-1-yl]cyclohexa-1,5-dien-1-yl]carbazole?
The IUPAC name of 9-(3-methylphenyl)-1-[3-[9-(3-methylphenyl)carbazol-1-yl]cyclohexa-1,5-dien-1-yl]carbazole (CID 71164642) is 9-(3-methylphenyl)-1-[3-[9-(3-methylphenyl)carbazol-1-yl]cyclohexa-1,5-dien-1-yl]carbazole.
What is the SMILES notation for 9-(3-methylphenyl)-1-[3-[9-(3-methylphenyl)carbazol-1-yl]cyclohexa-1,5-dien-1-yl]carbazole?
The canonical SMILES for 9-(3-methylphenyl)-1-[3-[9-(3-methylphenyl)carbazol-1-yl]cyclohexa-1,5-dien-1-yl]carbazole is Cc1cccc(-n2c3ccccc3c3cccc(C4=CC(c5cccc6c7ccccc7n(-c7cccc(C)c7)c56)CC=C4)c32)c1.
What is the InChIKey of 9-(3-methylphenyl)-1-[3-[9-(3-methylphenyl)carbazol-1-yl]cyclohexa-1,5-dien-1-yl]carbazole?
The InChIKey is ICBVPCCAXHSVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34N2/c1-29-12-7-16-33(26-29)45-41-24-5-3-18-37(41)39-22-10-20-35(43(39)45)31-14-9-15-32(28-31)36-21-11-23-40-38-19-4-6-25-42(38)46(44(36)40)34-17-8-13-30(2)27-34/h3-14,16-28,32H,15H2,1-2H3.
What are the key properties of 9-(3-methylphenyl)-1-[3-[9-(3-methylphenyl)carbazol-1-yl]cyclohexa-1,5-dien-1-yl]carbazole?
9-(3-methylphenyl)-1-[3-[9-(3-methylphenyl)carbazol-1-yl]cyclohexa-1,5-dien-1-yl]carbazole has a molecular weight of 590.77 g/mol, XLogP of 11.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methylphenyl)-1-[3-[9-(3-methylphenyl)carbazol-1-yl]cyclohexa-1,5-dien-1-yl]carbazole is sourced from PubChem (CID 71164642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).