3-[1-(5-methylcyclohepta-1,3,6-trien-1-yl)ethyl]-9-phenyl-1,2-dihydrocarbazole

C28H27N — CID 145381854

IUPAC3-[1-(5-methylcyclohepta-1,3,6-trien-1-yl)ethyl]-9-phenyl-1,2-dihydrocarbazole
SMILESCC1C=CC=C(C(C)C2=Cc3c(n(-c4ccccc4)c4ccccc34)CC2)C=C1
InChIInChI=1S/C28H27N/c1-20-9-8-10-22(16-15-20)21(2)23-17-18-28-26(19-23)25-13-6-7-14-27(25)29(28)24-11-4-3-5-12-24/h3-16,19-21H,17-18H2,1-2H3
InChIKeyPWGHXILHPKCOGS-UHFFFAOYSA-N
MW377.53 g/mol
LogP7.28
Rot. Bonds3

About 3-[1-(5-methylcyclohepta-1,3,6-trien-1-yl)ethyl]-9-phenyl-1,2-dihydrocarbazole

3-[1-(5-methylcyclohepta-1,3,6-trien-1-yl)ethyl]-9-phenyl-1,2-dihydrocarbazole (PubChem CID 145381854) has the molecular formula C28H27N and a molecular weight of 377.53 g/mol. Its IUPAC name is 3-[1-(5-methylcyclohepta-1,3,6-trien-1-yl)ethyl]-9-phenyl-1,2-dihydrocarbazole.

Molecular Properties

Compound Name3-[1-(5-methylcyclohepta-1,3,6-trien-1-yl)ethyl]-9-phenyl-1,2-dihydrocarbazole
PubChem CID145381854
Molecular FormulaC28H27N
Molecular Weight377.53 g/mol
Exact Mass377.21
IUPAC Name3-[1-(5-methylcyclohepta-1,3,6-trien-1-yl)ethyl]-9-phenyl-1,2-dihydrocarbazole
SMILESCC1C=CC=C(C(C)C2=Cc3c(n(-c4ccccc4)c4ccccc34)CC2)C=C1
InChIInChI=1S/C28H27N/c1-20-9-8-10-22(16-15-20)21(2)23-17-18-28-26(19-23)25-13-6-7-14-27(25)29(28)24-11-4-3-5-12-24/h3-16,19-21H,17-18H2,1-2H3
InChIKeyPWGHXILHPKCOGS-UHFFFAOYSA-N
XLogP7.28
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,9-bis(4-methylphenyl)-1,2-dihydrocarbazole
CID 146386930
9-phenyl-2-(9-phenylcarbazol-3-yl)-7-(9-phenyl-1,2-dihydrocarbazol-3-yl)carbazole
CID 163966480
5-phenyl-7,8-dihydro-6H-cyclohepta[b]indole
CID 143532296
6-[4-[(9-phenyl-1,2-dihydrocarbazol-3-yl)amino]phenyl]benzene-1,2,3,4,5-pentol
CID 144911620
3-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methyl-9-(4-methylphenyl)-1,2-dihydrocarbazole
CID 155483677
(2R)-1,2-dimethyl-9-phenyl-1,2-dihydrocarbazole
CID 70929960
3-fluoro-9-[6-(3-fluoro-1,2-dihydrocarbazol-9-yl)-9-phenyl-4a,9a-dihydrocarbazol-3-yl]carbazole
CID 67950956
CID 145229280
CID 145229280
5-phenyl-2-(9-phenylcarbazol-3-yl)-6H-cyclohepta[b]indole
CID 123942675
4-(5,11-diphenyl-9,10-dihydroindolo[3,2-b]carbazol-8-yl)-N,N-diphenylaniline
CID 163457269
(1Z,3E,5R)-1,3-di(cyclohexa-1,5-dien-1-yl)-5-[5-[3-(9-phenylcarbazol-2-yl)-1,2-dihydrocarbazol-9-yl]cyclohexa-1,3-dien-1-yl]hexa-1,3-dien-1-amine
CID 144573328
3,6-di(carbazol-9-yl)-9-(4-methylphenyl)-1,2-dihydrocarbazole
CID 144780313

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-methylcyclohepta-1,3,6-trien-1-yl)ethyl]-9-phenyl-1,2-dihydrocarbazole?
The IUPAC name of 3-[1-(5-methylcyclohepta-1,3,6-trien-1-yl)ethyl]-9-phenyl-1,2-dihydrocarbazole (CID 145381854) is 3-[1-(5-methylcyclohepta-1,3,6-trien-1-yl)ethyl]-9-phenyl-1,2-dihydrocarbazole.
What is the SMILES notation for 3-[1-(5-methylcyclohepta-1,3,6-trien-1-yl)ethyl]-9-phenyl-1,2-dihydrocarbazole?
The canonical SMILES for 3-[1-(5-methylcyclohepta-1,3,6-trien-1-yl)ethyl]-9-phenyl-1,2-dihydrocarbazole is CC1C=CC=C(C(C)C2=Cc3c(n(-c4ccccc4)c4ccccc34)CC2)C=C1.
What is the InChIKey of 3-[1-(5-methylcyclohepta-1,3,6-trien-1-yl)ethyl]-9-phenyl-1,2-dihydrocarbazole?
The InChIKey is PWGHXILHPKCOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N/c1-20-9-8-10-22(16-15-20)21(2)23-17-18-28-26(19-23)25-13-6-7-14-27(25)29(28)24-11-4-3-5-12-24/h3-16,19-21H,17-18H2,1-2H3.
What are the key properties of 3-[1-(5-methylcyclohepta-1,3,6-trien-1-yl)ethyl]-9-phenyl-1,2-dihydrocarbazole?
3-[1-(5-methylcyclohepta-1,3,6-trien-1-yl)ethyl]-9-phenyl-1,2-dihydrocarbazole has a molecular weight of 377.53 g/mol, XLogP of 7.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-methylcyclohepta-1,3,6-trien-1-yl)ethyl]-9-phenyl-1,2-dihydrocarbazole is sourced from PubChem (CID 145381854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).