3-[9-(3-methylphenyl)-6,7-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole

C43H32N2 — CID 144943040

IUPAC3-[9-(3-methylphenyl)-6,7-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole
SMILESCc1cccc(-n2c3c(c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccccc6)c5)ccc42)=CCCC=3)c1
InChIInChI=1S/C43H32N2/c1-29-11-9-15-34(25-29)44-40-19-7-5-17-36(40)38-27-32(21-23-42(38)44)33-22-24-43-39(28-33)37-18-6-8-20-41(37)45(43)35-16-10-14-31(26-35)30-12-3-2-4-13-30/h2-4,6,8-28H,5,7H2,1H3
InChIKeyGKHABKWESBXCGD-UHFFFAOYSA-N
MW576.74 g/mol
LogP9.72
Rot. Bonds4

About 3-[9-(3-methylphenyl)-6,7-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole

3-[9-(3-methylphenyl)-6,7-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole (PubChem CID 144943040) has the molecular formula C43H32N2 and a molecular weight of 576.74 g/mol. Its IUPAC name is 3-[9-(3-methylphenyl)-6,7-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-[9-(3-methylphenyl)-6,7-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole
PubChem CID144943040
Molecular FormulaC43H32N2
Molecular Weight576.74 g/mol
Exact Mass576.26
IUPAC Name3-[9-(3-methylphenyl)-6,7-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole
SMILESCc1cccc(-n2c3c(c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccccc6)c5)ccc42)=CCCC=3)c1
InChIInChI=1S/C43H32N2/c1-29-11-9-15-34(25-29)44-40-19-7-5-17-36(40)38-27-32(21-23-42(38)44)33-22-24-43-39(28-33)37-18-6-8-20-41(37)45(43)35-16-10-14-31(26-35)30-12-3-2-4-13-30/h2-4,6,8-28H,5,7H2,1H3
InChIKeyGKHABKWESBXCGD-UHFFFAOYSA-N
XLogP9.72
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.74
LogP ≤ 59.72
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
CID 162048953
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
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-phenyl-3-[4-(9-phenyl-6,7-dihydrocarbazol-3-yl)naphthalen-1-yl]carbazole
CID 146359318
9-phenyl-3-(9-phenyl-6,7-dihydrocarbazol-3-yl)-6-triphenylen-2-ylcarbazole
CID 162698923
9-[3-[3-[3,5-bis(3-carbazol-9-ylphenyl)phenyl]-5-[3-(2,3-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole
CID 163995412
3-[3-(4-methylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 144639934
9-(3-methylphenyl)-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126501118
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494
3-[9-[3-methyl-5-(3-methylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134370775
9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118014168
9-[3-(3,5-diphenylphenyl)phenyl]-3-[9-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]-6-phenylcarbazole
CID 129265445

Frequently Asked Questions

What is the IUPAC name of 3-[9-(3-methylphenyl)-6,7-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole?
The IUPAC name of 3-[9-(3-methylphenyl)-6,7-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole (CID 144943040) is 3-[9-(3-methylphenyl)-6,7-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole.
What is the SMILES notation for 3-[9-(3-methylphenyl)-6,7-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole?
The canonical SMILES for 3-[9-(3-methylphenyl)-6,7-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole is Cc1cccc(-n2c3c(c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccccc6)c5)ccc42)=CCCC=3)c1.
What is the InChIKey of 3-[9-(3-methylphenyl)-6,7-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole?
The InChIKey is GKHABKWESBXCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N2/c1-29-11-9-15-34(25-29)44-40-19-7-5-17-36(40)38-27-32(21-23-42(38)44)33-22-24-43-39(28-33)37-18-6-8-20-41(37)45(43)35-16-10-14-31(26-35)30-12-3-2-4-13-30/h2-4,6,8-28H,5,7H2,1H3.
What are the key properties of 3-[9-(3-methylphenyl)-6,7-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole?
3-[9-(3-methylphenyl)-6,7-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole has a molecular weight of 576.74 g/mol, XLogP of 9.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(3-methylphenyl)-6,7-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 144943040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).