6-[9-[(2R,6R)-2-cyclohexa-1,3-dien-1-yl-6-methylcyclohex-3-en-1-yl]-2,3,7,8-tetrahydrocarbazol-3-yl]-9-[(2S)-2,3-dihydronaphthalen-2-yl]-1,2-dihydrocarbazole

C47H46N2 — CID 174103942

About 6-[9-[(2R,6R)-2-cyclohexa-1,3-dien-1-yl-6-methylcyclohex-3-en-1-yl]-2,3,7,8-tetrahydrocarbazol-3-yl]-9-[(2S)-2,3-dihydronaphthalen-2-yl]-1,2-dihydrocarbazole

6-[9-[(2R,6R)-2-cyclohexa-1,3-dien-1-yl-6-methylcyclohex-3-en-1-yl]-2,3,7,8-tetrahydrocarbazol-3-yl]-9-[(2S)-2,3-dihydronaphthalen-2-yl]-1,2-dihydrocarbazole (PubChem CID 174103942) has the molecular formula C47H46N2 and a molecular weight of 638.90 g/mol. Its IUPAC name is 6-[9-[(2R,6R)-2-cyclohexa-1,3-dien-1-yl-6-methylcyclohex-3-en-1-yl]-2,3,7,8-tetrahydrocarbazol-3-yl]-9-[(2S)-2,3-dihydronaphthalen-2-yl]-1,2-dihydrocarbazole.

Molecular Properties

• Compound Name: 6-[9-[(2R,6R)-2-cyclohexa-1,3-dien-1-yl-6-methylcyclohex-3-en-1-yl]-2,3,7,8-tetrahydrocarbazol-3-yl]-9-[(2S)-2,3-dihydronaphthalen-2-yl]-1,2-dihydrocarbazole
• PubChem CID: 174103942
• Molecular Formula: C47H46N2
• Molecular Weight: 638.90 g/mol
• Exact Mass: 638.37
• IUPAC Name: 6-[9-[(2R,6R)-2-cyclohexa-1,3-dien-1-yl-6-methylcyclohex-3-en-1-yl]-2,3,7,8-tetrahydrocarbazol-3-yl]-9-[(2S)-2,3-dihydronaphthalen-2-yl]-1,2-dihydrocarbazole
• SMILES: C[C@@H]1CC=C[C@H](C2=CC=CCC2)C1n1c2c(c3c1=CCC(c1ccc4c(c1)c1c(n4[C@@H]4C=c5ccccc5=CC4)CCC=C1)C=3)C=CCC2
• InChI: InChI=1S/C47H46N2/c1-31-12-11-19-38(33-14-3-2-4-15-33)47(31)49-44-21-10-8-18-40(44)42-30-36(24-27-46(42)49)35-23-26-45-41(29-35)39-17-7-9-20-43(39)48(45)37-25-22-32-13-5-6-16-34(32)28-37/h2-3,5-8,11,13-14,16-19,22-23,26-31,36-38,47H,4,9-10,12,15,20-21,24-25H2,1H3/t31-,36?,37+,38-,47?/m1/s1
• InChIKey: VEJCLLCLXUCDCZ-ZIJLWJDGSA-N
• XLogP: 8.35
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	638.90
LogP ≤ 5	8.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[9-[(2R,6R)-2-cyclohexa-1,3-dien-1-yl-6-methylcyclohex-3-en-1-yl]-2,3,7,8-tetrahydrocarbazol-3-yl]-9-[(2S)-2,3-dihydronaphthalen-2-yl]-1,2-dihydrocarbazole?

The IUPAC name of 6-[9-[(2R,6R)-2-cyclohexa-1,3-dien-1-yl-6-methylcyclohex-3-en-1-yl]-2,3,7,8-tetrahydrocarbazol-3-yl]-9-[(2S)-2,3-dihydronaphthalen-2-yl]-1,2-dihydrocarbazole (CID 174103942) is 6-[9-[(2R,6R)-2-cyclohexa-1,3-dien-1-yl-6-methylcyclohex-3-en-1-yl]-2,3,7,8-tetrahydrocarbazol-3-yl]-9-[(2S)-2,3-dihydronaphthalen-2-yl]-1,2-dihydrocarbazole.

What is the SMILES notation for 6-[9-[(2R,6R)-2-cyclohexa-1,3-dien-1-yl-6-methylcyclohex-3-en-1-yl]-2,3,7,8-tetrahydrocarbazol-3-yl]-9-[(2S)-2,3-dihydronaphthalen-2-yl]-1,2-dihydrocarbazole?

The canonical SMILES for 6-[9-[(2R,6R)-2-cyclohexa-1,3-dien-1-yl-6-methylcyclohex-3-en-1-yl]-2,3,7,8-tetrahydrocarbazol-3-yl]-9-[(2S)-2,3-dihydronaphthalen-2-yl]-1,2-dihydrocarbazole is C[C@@H]1CC=C[C@H](C2=CC=CCC2)C1n1c2c(c3c1=CCC(c1ccc4c(c1)c1c(n4[C@@H]4C=c5ccccc5=CC4)CCC=C1)C=3)C=CCC2.

What is the InChIKey of 6-[9-[(2R,6R)-2-cyclohexa-1,3-dien-1-yl-6-methylcyclohex-3-en-1-yl]-2,3,7,8-tetrahydrocarbazol-3-yl]-9-[(2S)-2,3-dihydronaphthalen-2-yl]-1,2-dihydrocarbazole?

The InChIKey is VEJCLLCLXUCDCZ-ZIJLWJDGSA-N. The full InChI is InChI=1S/C47H46N2/c1-31-12-11-19-38(33-14-3-2-4-15-33)47(31)49-44-21-10-8-18-40(44)42-30-36(24-27-46(42)49)35-23-26-45-41(29-35)39-17-7-9-20-43(39)48(45)37-25-22-32-13-5-6-16-34(32)28-37/h2-3,5-8,11,13-14,16-19,22-23,26-31,36-38,47H,4,9-10,12,15,20-21,24-25H2,1H3/t31-,36?,37+,38-,47?/m1/s1.

What are the key properties of 6-[9-[(2R,6R)-2-cyclohexa-1,3-dien-1-yl-6-methylcyclohex-3-en-1-yl]-2,3,7,8-tetrahydrocarbazol-3-yl]-9-[(2S)-2,3-dihydronaphthalen-2-yl]-1,2-dihydrocarbazole?

6-[9-[(2R,6R)-2-cyclohexa-1,3-dien-1-yl-6-methylcyclohex-3-en-1-yl]-2,3,7,8-tetrahydrocarbazol-3-yl]-9-[(2S)-2,3-dihydronaphthalen-2-yl]-1,2-dihydrocarbazole has a molecular weight of 638.90 g/mol, XLogP of 8.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[9-[(2R,6R)-2-cyclohexa-1,3-dien-1-yl-6-methylcyclohex-3-en-1-yl]-2,3,7,8-tetrahydrocarbazol-3-yl]-9-[(2S)-2,3-dihydronaphthalen-2-yl]-1,2-dihydrocarbazole is sourced from PubChem (CID 174103942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).