9-[4-(3,5-dimethylcyclohexa-1,3-dien-1-yl)-5-naphthalen-2-yl-1,2,4-triazol-3-yl]-3,4-dihydrocarbazole

C32H28N4 — CID 70809935

IUPAC9-[4-(3,5-dimethylcyclohexa-1,3-dien-1-yl)-5-naphthalen-2-yl-1,2,4-triazol-3-yl]-3,4-dihydrocarbazole
SMILESCC1=CC(C)CC(n2c(-c3ccc4ccccc4c3)nnc2-n2c3c(c4ccccc42)CCC=C3)=C1
InChIInChI=1S/C32H28N4/c1-21-17-22(2)19-26(18-21)35-31(25-16-15-23-9-3-4-10-24(23)20-25)33-34-32(35)36-29-13-7-5-11-27(29)28-12-6-8-14-30(28)36/h3-5,7-11,13-18,20,22H,6,12,19H2,1-2H3
InChIKeyVQZXHLBFJYJHOP-UHFFFAOYSA-N
MW468.60 g/mol
LogP7.83
Rot. Bonds3

About 9-[4-(3,5-dimethylcyclohexa-1,3-dien-1-yl)-5-naphthalen-2-yl-1,2,4-triazol-3-yl]-3,4-dihydrocarbazole

9-[4-(3,5-dimethylcyclohexa-1,3-dien-1-yl)-5-naphthalen-2-yl-1,2,4-triazol-3-yl]-3,4-dihydrocarbazole (PubChem CID 70809935) has the molecular formula C32H28N4 and a molecular weight of 468.60 g/mol. Its IUPAC name is 9-[4-(3,5-dimethylcyclohexa-1,3-dien-1-yl)-5-naphthalen-2-yl-1,2,4-triazol-3-yl]-3,4-dihydrocarbazole.

Molecular Properties

Compound Name9-[4-(3,5-dimethylcyclohexa-1,3-dien-1-yl)-5-naphthalen-2-yl-1,2,4-triazol-3-yl]-3,4-dihydrocarbazole
PubChem CID70809935
Molecular FormulaC32H28N4
Molecular Weight468.60 g/mol
Exact Mass468.23
IUPAC Name9-[4-(3,5-dimethylcyclohexa-1,3-dien-1-yl)-5-naphthalen-2-yl-1,2,4-triazol-3-yl]-3,4-dihydrocarbazole
SMILESCC1=CC(C)CC(n2c(-c3ccc4ccccc4c3)nnc2-n2c3c(c4ccccc42)CCC=C3)=C1
InChIInChI=1S/C32H28N4/c1-21-17-22(2)19-26(18-21)35-31(25-16-15-23-9-3-4-10-24(23)20-25)33-34-32(35)36-29-13-7-5-11-27(29)28-12-6-8-14-30(28)36/h3-5,7-11,13-18,20,22H,6,12,19H2,1-2H3
InChIKeyVQZXHLBFJYJHOP-UHFFFAOYSA-N
XLogP7.83
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-(2,6-diphenyl-2,3-dihydropyridin-4-yl)-5-phenyl-1,2,4-triazol-3-yl]-3,4-dihydrocarbazole
CID 70809922
9-(6-triphenylen-2-ylnaphthalen-2-yl)-3,4-dihydrocarbazole
CID 123813680
9-[4-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,5-dimethylphenyl]phenyl]carbazole
CID 71097259
9-[6-(3,4-dihydrocarbazol-9-yl)-9-(3-methylphenyl)-10-naphthalen-2-yl-2,3-dihydroanthracen-2-yl]-3,4-dihydrocarbazole
CID 70930491
9-[4-[6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 138614706
N-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-3-methylphenyl]-N-phenylnaphthalen-2-amine
CID 71024477
5,11-bis(4-methylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 71134727
9-[5-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]carbazole
CID 142508357
9-[4-[4-(3,4-dihydrocarbazol-9-yl)-2-methylcyclohexa-1,3-dien-1-yl]-3-methylphenyl]carbazole
CID 146232531
3-(9-naphthalen-2-yl-5,6-dihydrocarbazol-2-yl)-5-phenylpyrido[3,2-b]indole
CID 118587825
11-[2,6-di(carbazol-9-yl)-2,3-dihydropyridin-4-yl]-5-phenyl-7,8-dihydroindolo[3,2-b]carbazole
CID 123821355
5-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 156558011

Frequently Asked Questions

What is the IUPAC name of 9-[4-(3,5-dimethylcyclohexa-1,3-dien-1-yl)-5-naphthalen-2-yl-1,2,4-triazol-3-yl]-3,4-dihydrocarbazole?
The IUPAC name of 9-[4-(3,5-dimethylcyclohexa-1,3-dien-1-yl)-5-naphthalen-2-yl-1,2,4-triazol-3-yl]-3,4-dihydrocarbazole (CID 70809935) is 9-[4-(3,5-dimethylcyclohexa-1,3-dien-1-yl)-5-naphthalen-2-yl-1,2,4-triazol-3-yl]-3,4-dihydrocarbazole.
What is the SMILES notation for 9-[4-(3,5-dimethylcyclohexa-1,3-dien-1-yl)-5-naphthalen-2-yl-1,2,4-triazol-3-yl]-3,4-dihydrocarbazole?
The canonical SMILES for 9-[4-(3,5-dimethylcyclohexa-1,3-dien-1-yl)-5-naphthalen-2-yl-1,2,4-triazol-3-yl]-3,4-dihydrocarbazole is CC1=CC(C)CC(n2c(-c3ccc4ccccc4c3)nnc2-n2c3c(c4ccccc42)CCC=C3)=C1.
What is the InChIKey of 9-[4-(3,5-dimethylcyclohexa-1,3-dien-1-yl)-5-naphthalen-2-yl-1,2,4-triazol-3-yl]-3,4-dihydrocarbazole?
The InChIKey is VQZXHLBFJYJHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N4/c1-21-17-22(2)19-26(18-21)35-31(25-16-15-23-9-3-4-10-24(23)20-25)33-34-32(35)36-29-13-7-5-11-27(29)28-12-6-8-14-30(28)36/h3-5,7-11,13-18,20,22H,6,12,19H2,1-2H3.
What are the key properties of 9-[4-(3,5-dimethylcyclohexa-1,3-dien-1-yl)-5-naphthalen-2-yl-1,2,4-triazol-3-yl]-3,4-dihydrocarbazole?
9-[4-(3,5-dimethylcyclohexa-1,3-dien-1-yl)-5-naphthalen-2-yl-1,2,4-triazol-3-yl]-3,4-dihydrocarbazole has a molecular weight of 468.60 g/mol, XLogP of 7.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(3,5-dimethylcyclohexa-1,3-dien-1-yl)-5-naphthalen-2-yl-1,2,4-triazol-3-yl]-3,4-dihydrocarbazole is sourced from PubChem (CID 70809935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).