9-[2-(4-cyclohexa-1,3-dien-1-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-3-methyl-4-phenylcyclohexa-1,5-dien-1-yl]-3,4,4b,8a-tetrahydrocarbazole

C40H40N4 — CID 146428839

IUPAC9-[2-(4-cyclohexa-1,3-dien-1-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-3-methyl-4-phenylcyclohexa-1,5-dien-1-yl]-3,4,4b,8a-tetrahydrocarbazole
SMILESCC1C(C2=NC(C3=CC=CCC3)NC(c3ccccc3)N2)=C(N2C3=C(CCC=C3)C3C=CC=CC32)C=CC1c1ccccc1
InChIInChI=1S/C40H40N4/c1-27-31(28-15-5-2-6-16-28)25-26-36(44-34-23-13-11-21-32(34)33-22-12-14-24-35(33)44)37(27)40-42-38(29-17-7-3-8-18-29)41-39(43-40)30-19-9-4-10-20-30/h2-9,11,13-19,21,23-27,31-32,34,38-39,41H,10,12,20,22H2,1H3,(H,42,43)
InChIKeyKXQPIIGUBQYOGG-UHFFFAOYSA-N
MW576.79 g/mol
LogP8.15
Rot. Bonds5

About 9-[2-(4-cyclohexa-1,3-dien-1-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-3-methyl-4-phenylcyclohexa-1,5-dien-1-yl]-3,4,4b,8a-tetrahydrocarbazole

9-[2-(4-cyclohexa-1,3-dien-1-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-3-methyl-4-phenylcyclohexa-1,5-dien-1-yl]-3,4,4b,8a-tetrahydrocarbazole (PubChem CID 146428839) has the molecular formula C40H40N4 and a molecular weight of 576.79 g/mol. Its IUPAC name is 9-[2-(4-cyclohexa-1,3-dien-1-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-3-methyl-4-phenylcyclohexa-1,5-dien-1-yl]-3,4,4b,8a-tetrahydrocarbazole.

Molecular Properties

Compound Name9-[2-(4-cyclohexa-1,3-dien-1-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-3-methyl-4-phenylcyclohexa-1,5-dien-1-yl]-3,4,4b,8a-tetrahydrocarbazole
PubChem CID146428839
Molecular FormulaC40H40N4
Molecular Weight576.79 g/mol
Exact Mass576.33
IUPAC Name9-[2-(4-cyclohexa-1,3-dien-1-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-3-methyl-4-phenylcyclohexa-1,5-dien-1-yl]-3,4,4b,8a-tetrahydrocarbazole
SMILESCC1C(C2=NC(C3=CC=CCC3)NC(c3ccccc3)N2)=C(N2C3=C(CCC=C3)C3C=CC=CC32)C=CC1c1ccccc1
InChIInChI=1S/C40H40N4/c1-27-31(28-15-5-2-6-16-28)25-26-36(44-34-23-13-11-21-32(34)33-22-12-14-24-35(33)44)37(27)40-42-38(29-17-7-3-8-18-29)41-39(43-40)30-19-9-4-10-20-30/h2-9,11,13-19,21,23-27,31-32,34,38-39,41H,10,12,20,22H2,1H3,(H,42,43)
InChIKeyKXQPIIGUBQYOGG-UHFFFAOYSA-N
XLogP8.15
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.79
LogP ≤ 58.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 9-[2-(4-cyclohexa-1,3-dien-1-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-3-methyl-4-phenylcyclohexa-1,5-dien-1-yl]-3,4,4b,8a-tetrahydrocarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(4-cyclohexa-1,3-dien-1-ylphenyl)-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-9-dibenzothiophen-4-yl-4a,9a-dihydrocarbazole
CID 139555157
3-cyclohexa-1,3-dien-1-yl-6-methyl-2-phenyl-1,2,6,7-tetrahydrobenzimidazole
CID 70875590
1-(3,4,4b,8a-tetrahydrocarbazol-9-yl)-9-[9-(2,6-diphenylphenyl)carbazol-1-yl]carbazole
CID 170375431
(4-cyclohexa-1,3-dien-1-yl-2-cyclohexa-1,5-dien-1-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-diphenyl-(9-phenylcarbazol-3-yl)-λ4-sulfane
CID 146670225
3-carbazol-9-yl-9-[5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)cyclohexa-1,5-dien-1-yl]carbazole
CID 126700298
5-[6-[4-(7,8-dihydronaphthalen-2-yl)-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole
CID 146498073
7-[7-[4,6-di(cyclohexa-1,3-dien-1-yl)-5-methyl-2,6-dihydro-1H-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-3,4,7a,11a-tetrahydro-[1]benzofuro[2,3-b]carbazole
CID 167223041
14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2(7),3,9,11,15,17,19,21-octaene
CID 142397095
7-(4a,9a-dihydrocarbazol-9-yl)-5-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphthalen-1-yl]-11,11a-dihydrobenzo[b]carbazole
CID 139569628
10-[3-(6-cyclohexa-1,3-dien-1-yl-3-methyl-4-phenyl-2,6-dihydro-1H-1,3,5-triazin-2-yl)-5-phenyl-2,3-dihydropyridin-2-yl]-9,9-dimethylacridine
CID 146428676
2-cyclohexa-2,4-dien-1-yl-6-[4-[7-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 174300944
4-[3-(3,4,4b,8a-tetrahydrocarbazol-9-yl)phenyl]pyridine-2,5-dicarbonitrile
CID 146538513

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4-cyclohexa-1,3-dien-1-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-3-methyl-4-phenylcyclohexa-1,5-dien-1-yl]-3,4,4b,8a-tetrahydrocarbazole?
The IUPAC name of 9-[2-(4-cyclohexa-1,3-dien-1-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-3-methyl-4-phenylcyclohexa-1,5-dien-1-yl]-3,4,4b,8a-tetrahydrocarbazole (CID 146428839) is 9-[2-(4-cyclohexa-1,3-dien-1-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-3-methyl-4-phenylcyclohexa-1,5-dien-1-yl]-3,4,4b,8a-tetrahydrocarbazole.
What is the SMILES notation for 9-[2-(4-cyclohexa-1,3-dien-1-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-3-methyl-4-phenylcyclohexa-1,5-dien-1-yl]-3,4,4b,8a-tetrahydrocarbazole?
The canonical SMILES for 9-[2-(4-cyclohexa-1,3-dien-1-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-3-methyl-4-phenylcyclohexa-1,5-dien-1-yl]-3,4,4b,8a-tetrahydrocarbazole is CC1C(C2=NC(C3=CC=CCC3)NC(c3ccccc3)N2)=C(N2C3=C(CCC=C3)C3C=CC=CC32)C=CC1c1ccccc1.
What is the InChIKey of 9-[2-(4-cyclohexa-1,3-dien-1-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-3-methyl-4-phenylcyclohexa-1,5-dien-1-yl]-3,4,4b,8a-tetrahydrocarbazole?
The InChIKey is KXQPIIGUBQYOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H40N4/c1-27-31(28-15-5-2-6-16-28)25-26-36(44-34-23-13-11-21-32(34)33-22-12-14-24-35(33)44)37(27)40-42-38(29-17-7-3-8-18-29)41-39(43-40)30-19-9-4-10-20-30/h2-9,11,13-19,21,23-27,31-32,34,38-39,41H,10,12,20,22H2,1H3,(H,42,43).
What are the key properties of 9-[2-(4-cyclohexa-1,3-dien-1-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-3-methyl-4-phenylcyclohexa-1,5-dien-1-yl]-3,4,4b,8a-tetrahydrocarbazole?
9-[2-(4-cyclohexa-1,3-dien-1-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-3-methyl-4-phenylcyclohexa-1,5-dien-1-yl]-3,4,4b,8a-tetrahydrocarbazole has a molecular weight of 576.79 g/mol, XLogP of 8.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4-cyclohexa-1,3-dien-1-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-3-methyl-4-phenylcyclohexa-1,5-dien-1-yl]-3,4,4b,8a-tetrahydrocarbazole is sourced from PubChem (CID 146428839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).