6-(2,4b,8a,9-tetrahydro-1H-carbazol-3-yl)-N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-9-phenyl-2,3,7,8-tetrahydrocarbazol-3-amine

C42H41N3 — CID 88948411

IUPAC6-(2,4b,8a,9-tetrahydro-1H-carbazol-3-yl)-N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-9-phenyl-2,3,7,8-tetrahydrocarbazol-3-amine
SMILESC1=CCCC(N(C2C=CC=CC2)C2C=c3c4c(n(-c5ccccc5)c3=CC2)CCC(C2=CC3=C(CC2)NC2C=CC=CC32)=C4)=C1
InChIInChI=1S/C42H41N3/c1-4-12-31(13-5-1)44(32-14-6-2-7-15-32)34-22-25-42-38(28-34)37-27-30(21-24-41(37)45(42)33-16-8-3-9-17-33)29-20-23-40-36(26-29)35-18-10-11-19-39(35)43-40/h1-6,8-12,14,16-19,25-28,31,34-35,39,43H,7,13,15,20-24H2
InChIKeyRENCMHDMOSSION-UHFFFAOYSA-N
MW587.81 g/mol
LogP7.25
Rot. Bonds5

About 6-(2,4b,8a,9-tetrahydro-1H-carbazol-3-yl)-N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-9-phenyl-2,3,7,8-tetrahydrocarbazol-3-amine

6-(2,4b,8a,9-tetrahydro-1H-carbazol-3-yl)-N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-9-phenyl-2,3,7,8-tetrahydrocarbazol-3-amine (PubChem CID 88948411) has the molecular formula C42H41N3 and a molecular weight of 587.81 g/mol. Its IUPAC name is 6-(2,4b,8a,9-tetrahydro-1H-carbazol-3-yl)-N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-9-phenyl-2,3,7,8-tetrahydrocarbazol-3-amine.

Molecular Properties

Compound Name6-(2,4b,8a,9-tetrahydro-1H-carbazol-3-yl)-N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-9-phenyl-2,3,7,8-tetrahydrocarbazol-3-amine
PubChem CID88948411
Molecular FormulaC42H41N3
Molecular Weight587.81 g/mol
Exact Mass587.33
IUPAC Name6-(2,4b,8a,9-tetrahydro-1H-carbazol-3-yl)-N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-9-phenyl-2,3,7,8-tetrahydrocarbazol-3-amine
SMILESC1=CCCC(N(C2C=CC=CC2)C2C=c3c4c(n(-c5ccccc5)c3=CC2)CCC(C2=CC3=C(CC2)NC2C=CC=CC32)=C4)=C1
InChIInChI=1S/C42H41N3/c1-4-12-31(13-5-1)44(32-14-6-2-7-15-32)34-22-25-42-38(28-34)37-27-30(21-24-41(37)45(42)33-16-8-3-9-17-33)29-20-23-40-36(26-29)35-18-10-11-19-39(35)43-40/h1-6,8-12,14,16-19,25-28,31,34-35,39,43H,7,13,15,20-24H2
InChIKeyRENCMHDMOSSION-UHFFFAOYSA-N
XLogP7.25
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.81
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(2,4b,8a,9-tetrahydro-1H-carbazol-3-yl)-N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-9-phenyl-2,3,7,8-tetrahydrocarbazol-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2,4b,8a,9-tetrahydro-1H-carbazol-3-yl)-N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-9-phenyl-2,3,7,8-tetrahydrocarbazol-3-amine?
The IUPAC name of 6-(2,4b,8a,9-tetrahydro-1H-carbazol-3-yl)-N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-9-phenyl-2,3,7,8-tetrahydrocarbazol-3-amine (CID 88948411) is 6-(2,4b,8a,9-tetrahydro-1H-carbazol-3-yl)-N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-9-phenyl-2,3,7,8-tetrahydrocarbazol-3-amine.
What is the SMILES notation for 6-(2,4b,8a,9-tetrahydro-1H-carbazol-3-yl)-N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-9-phenyl-2,3,7,8-tetrahydrocarbazol-3-amine?
The canonical SMILES for 6-(2,4b,8a,9-tetrahydro-1H-carbazol-3-yl)-N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-9-phenyl-2,3,7,8-tetrahydrocarbazol-3-amine is C1=CCCC(N(C2C=CC=CC2)C2C=c3c4c(n(-c5ccccc5)c3=CC2)CCC(C2=CC3=C(CC2)NC2C=CC=CC32)=C4)=C1.
What is the InChIKey of 6-(2,4b,8a,9-tetrahydro-1H-carbazol-3-yl)-N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-9-phenyl-2,3,7,8-tetrahydrocarbazol-3-amine?
The InChIKey is RENCMHDMOSSION-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H41N3/c1-4-12-31(13-5-1)44(32-14-6-2-7-15-32)34-22-25-42-38(28-34)37-27-30(21-24-41(37)45(42)33-16-8-3-9-17-33)29-20-23-40-36(26-29)35-18-10-11-19-39(35)43-40/h1-6,8-12,14,16-19,25-28,31,34-35,39,43H,7,13,15,20-24H2.
What are the key properties of 6-(2,4b,8a,9-tetrahydro-1H-carbazol-3-yl)-N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-9-phenyl-2,3,7,8-tetrahydrocarbazol-3-amine?
6-(2,4b,8a,9-tetrahydro-1H-carbazol-3-yl)-N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-9-phenyl-2,3,7,8-tetrahydrocarbazol-3-amine has a molecular weight of 587.81 g/mol, XLogP of 7.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4b,8a,9-tetrahydro-1H-carbazol-3-yl)-N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-9-phenyl-2,3,7,8-tetrahydrocarbazol-3-amine is sourced from PubChem (CID 88948411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).