3-[4-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]-9-(3-phenylphenyl)-1,2-dihydrocarbazole

C38H33NO — CID 142356605

IUPAC3-[4-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]-9-(3-phenylphenyl)-1,2-dihydrocarbazole
SMILESCC1=C(Oc2cc(C3=Cc4c(n(-c5cccc(-c6ccccc6)c5)c5ccccc45)CC3)ccc2C)CCC=C1
InChIInChI=1S/C38H33NO/c1-26-11-6-9-18-37(26)40-38-25-31(20-19-27(38)2)30-21-22-36-34(24-30)33-16-7-8-17-35(33)39(36)32-15-10-14-29(23-32)28-12-4-3-5-13-28/h3-8,10-17,19-20,23-25H,9,18,21-22H2,1-2H3
InChIKeyJACIQYQJBDRFFK-UHFFFAOYSA-N
MW519.69 g/mol
LogP10.10
Rot. Bonds5

About 3-[4-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]-9-(3-phenylphenyl)-1,2-dihydrocarbazole

3-[4-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]-9-(3-phenylphenyl)-1,2-dihydrocarbazole (PubChem CID 142356605) has the molecular formula C38H33NO and a molecular weight of 519.69 g/mol. Its IUPAC name is 3-[4-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]-9-(3-phenylphenyl)-1,2-dihydrocarbazole.

Molecular Properties

Compound Name3-[4-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]-9-(3-phenylphenyl)-1,2-dihydrocarbazole
PubChem CID142356605
Molecular FormulaC38H33NO
Molecular Weight519.69 g/mol
Exact Mass519.26
IUPAC Name3-[4-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]-9-(3-phenylphenyl)-1,2-dihydrocarbazole
SMILESCC1=C(Oc2cc(C3=Cc4c(n(-c5cccc(-c6ccccc6)c5)c5ccccc45)CC3)ccc2C)CCC=C1
InChIInChI=1S/C38H33NO/c1-26-11-6-9-18-37(26)40-38-25-31(20-19-27(38)2)30-21-22-36-34(24-30)33-16-7-8-17-35(33)39(36)32-15-10-14-29(23-32)28-12-4-3-5-13-28/h3-8,10-17,19-20,23-25H,9,18,21-22H2,1-2H3
InChIKeyJACIQYQJBDRFFK-UHFFFAOYSA-N
XLogP10.10
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.69
LogP ≤ 510.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-phenyl-2-(9-phenylcarbazol-3-yl)-7-(9-phenyl-1,2-dihydrocarbazol-3-yl)carbazole
CID 163966480
N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167211221
9-[3-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrocarbazole
CID 126627650
7-methyl-9-(3-phenylphenyl)-1,2-dihydrocarbazole
CID 153329342
3,9-bis(4-methylphenyl)-1,2-dihydrocarbazole
CID 146386930
3-phenyl-9-[8-(3-phenyl-1,2-dihydrocarbazol-9-yl)dibenzofuran-4-yl]carbazole
CID 69285159
3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 144650120
9-[6-(3,6-diphenyl-1,2-dihydrocarbazol-9-yl)-9H-carbazol-3-yl]-3,6-diphenylcarbazole
CID 70661535
3-[9-[4-[3-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]pyrimidin-2-yl]-1,2-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 134438397
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170
3-[9-[4-[3-ethenyl-2-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-9-phenyl-1,2-dihydrocarbazole
CID 170180574
6-[3-(4-methylphenyl)phenyl]-9-(3-phenylphenyl)-3,4-dihydrocarbazole
CID 144639948

Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]-9-(3-phenylphenyl)-1,2-dihydrocarbazole?
The IUPAC name of 3-[4-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]-9-(3-phenylphenyl)-1,2-dihydrocarbazole (CID 142356605) is 3-[4-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]-9-(3-phenylphenyl)-1,2-dihydrocarbazole.
What is the SMILES notation for 3-[4-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]-9-(3-phenylphenyl)-1,2-dihydrocarbazole?
The canonical SMILES for 3-[4-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]-9-(3-phenylphenyl)-1,2-dihydrocarbazole is CC1=C(Oc2cc(C3=Cc4c(n(-c5cccc(-c6ccccc6)c5)c5ccccc45)CC3)ccc2C)CCC=C1.
What is the InChIKey of 3-[4-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]-9-(3-phenylphenyl)-1,2-dihydrocarbazole?
The InChIKey is JACIQYQJBDRFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H33NO/c1-26-11-6-9-18-37(26)40-38-25-31(20-19-27(38)2)30-21-22-36-34(24-30)33-16-7-8-17-35(33)39(36)32-15-10-14-29(23-32)28-12-4-3-5-13-28/h3-8,10-17,19-20,23-25H,9,18,21-22H2,1-2H3.
What are the key properties of 3-[4-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]-9-(3-phenylphenyl)-1,2-dihydrocarbazole?
3-[4-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]-9-(3-phenylphenyl)-1,2-dihydrocarbazole has a molecular weight of 519.69 g/mol, XLogP of 10.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]-9-(3-phenylphenyl)-1,2-dihydrocarbazole is sourced from PubChem (CID 142356605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).