N-cyclohexa-1,3-dien-1-yl-9-cyclohexa-1,5-dien-1-yl-N-[4-[4-(N-(9-cyclohex-2-en-1-yl-1,2,4a,9a-tetrahydrocarbazol-2-yl)anilino)-4-methylcyclohexa-1,5-dien-1-yl]phenyl]-2,3-dihydrocarbazol-2-amine

C61H60N4 — CID 170003390

About N-cyclohexa-1,3-dien-1-yl-9-cyclohexa-1,5-dien-1-yl-N-[4-[4-(N-(9-cyclohex-2-en-1-yl-1,2,4a,9a-tetrahydrocarbazol-2-yl)anilino)-4-methylcyclohexa-1,5-dien-1-yl]phenyl]-2,3-dihydrocarbazol-2-amine

N-cyclohexa-1,3-dien-1-yl-9-cyclohexa-1,5-dien-1-yl-N-[4-[4-(N-(9-cyclohex-2-en-1-yl-1,2,4a,9a-tetrahydrocarbazol-2-yl)anilino)-4-methylcyclohexa-1,5-dien-1-yl]phenyl]-2,3-dihydrocarbazol-2-amine (PubChem CID 170003390) has the molecular formula C61H60N4 and a molecular weight of 849.18 g/mol. Its IUPAC name is N-cyclohexa-1,3-dien-1-yl-9-cyclohexa-1,5-dien-1-yl-N-[4-[4-(N-(9-cyclohex-2-en-1-yl-1,2,4a,9a-tetrahydrocarbazol-2-yl)anilino)-4-methylcyclohexa-1,5-dien-1-yl]phenyl]-2,3-dihydrocarbazol-2-amine.

Molecular Properties

• Compound Name: N-cyclohexa-1,3-dien-1-yl-9-cyclohexa-1,5-dien-1-yl-N-[4-[4-(N-(9-cyclohex-2-en-1-yl-1,2,4a,9a-tetrahydrocarbazol-2-yl)anilino)-4-methylcyclohexa-1,5-dien-1-yl]phenyl]-2,3-dihydrocarbazol-2-amine
• PubChem CID: 170003390
• Molecular Formula: C61H60N4
• Molecular Weight: 849.18 g/mol
• Exact Mass: 848.48
• IUPAC Name: N-cyclohexa-1,3-dien-1-yl-9-cyclohexa-1,5-dien-1-yl-N-[4-[4-(N-(9-cyclohex-2-en-1-yl-1,2,4a,9a-tetrahydrocarbazol-2-yl)anilino)-4-methylcyclohexa-1,5-dien-1-yl]phenyl]-2,3-dihydrocarbazol-2-amine
• SMILES: CC1(N(c2ccccc2)C2C=CC3c4ccccc4N(C4C=CCCC4)C3C2)C=CC(c2ccc(N(C3=CC=CCC3)C3C=c4c(c5ccccc5n4C4=CCCC=C4)=CC3)cc2)=CC1
• InChI: InChI=1S/C61H60N4/c1-61(65(50-24-12-5-13-25-50)52-35-37-56-54-27-15-17-29-58(54)64(60(56)43-52)48-22-10-4-11-23-48)40-38-45(39-41-61)44-30-32-49(33-31-44)62(46-18-6-2-7-19-46)51-34-36-55-53-26-14-16-28-57(53)63(59(55)42-51)47-20-8-3-9-21-47/h2,5-6,8,10,12-18,20-22,24-33,35-40,42,48,51-52,56,60H,3-4,7,9,11,19,23,34,41,43H2,1H3
• InChIKey: NSFQWXBTVUDHOJ-UHFFFAOYSA-N
• XLogP: 12.92
• TPSA: 14.65 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	849.18
LogP ≤ 5	12.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,3-dien-1-yl-9-cyclohexa-1,5-dien-1-yl-N-[4-[4-(N-(9-cyclohex-2-en-1-yl-1,2,4a,9a-tetrahydrocarbazol-2-yl)anilino)-4-methylcyclohexa-1,5-dien-1-yl]phenyl]-2,3-dihydrocarbazol-2-amine?

The IUPAC name of N-cyclohexa-1,3-dien-1-yl-9-cyclohexa-1,5-dien-1-yl-N-[4-[4-(N-(9-cyclohex-2-en-1-yl-1,2,4a,9a-tetrahydrocarbazol-2-yl)anilino)-4-methylcyclohexa-1,5-dien-1-yl]phenyl]-2,3-dihydrocarbazol-2-amine (CID 170003390) is N-cyclohexa-1,3-dien-1-yl-9-cyclohexa-1,5-dien-1-yl-N-[4-[4-(N-(9-cyclohex-2-en-1-yl-1,2,4a,9a-tetrahydrocarbazol-2-yl)anilino)-4-methylcyclohexa-1,5-dien-1-yl]phenyl]-2,3-dihydrocarbazol-2-amine.

What is the SMILES notation for N-cyclohexa-1,3-dien-1-yl-9-cyclohexa-1,5-dien-1-yl-N-[4-[4-(N-(9-cyclohex-2-en-1-yl-1,2,4a,9a-tetrahydrocarbazol-2-yl)anilino)-4-methylcyclohexa-1,5-dien-1-yl]phenyl]-2,3-dihydrocarbazol-2-amine?

The canonical SMILES for N-cyclohexa-1,3-dien-1-yl-9-cyclohexa-1,5-dien-1-yl-N-[4-[4-(N-(9-cyclohex-2-en-1-yl-1,2,4a,9a-tetrahydrocarbazol-2-yl)anilino)-4-methylcyclohexa-1,5-dien-1-yl]phenyl]-2,3-dihydrocarbazol-2-amine is CC1(N(c2ccccc2)C2C=CC3c4ccccc4N(C4C=CCCC4)C3C2)C=CC(c2ccc(N(C3=CC=CCC3)C3C=c4c(c5ccccc5n4C4=CCCC=C4)=CC3)cc2)=CC1.

What is the InChIKey of N-cyclohexa-1,3-dien-1-yl-9-cyclohexa-1,5-dien-1-yl-N-[4-[4-(N-(9-cyclohex-2-en-1-yl-1,2,4a,9a-tetrahydrocarbazol-2-yl)anilino)-4-methylcyclohexa-1,5-dien-1-yl]phenyl]-2,3-dihydrocarbazol-2-amine?

The InChIKey is NSFQWXBTVUDHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H60N4/c1-61(65(50-24-12-5-13-25-50)52-35-37-56-54-27-15-17-29-58(54)64(60(56)43-52)48-22-10-4-11-23-48)40-38-45(39-41-61)44-30-32-49(33-31-44)62(46-18-6-2-7-19-46)51-34-36-55-53-26-14-16-28-57(53)63(59(55)42-51)47-20-8-3-9-21-47/h2,5-6,8,10,12-18,20-22,24-33,35-40,42,48,51-52,56,60H,3-4,7,9,11,19,23,34,41,43H2,1H3.

What are the key properties of N-cyclohexa-1,3-dien-1-yl-9-cyclohexa-1,5-dien-1-yl-N-[4-[4-(N-(9-cyclohex-2-en-1-yl-1,2,4a,9a-tetrahydrocarbazol-2-yl)anilino)-4-methylcyclohexa-1,5-dien-1-yl]phenyl]-2,3-dihydrocarbazol-2-amine?

N-cyclohexa-1,3-dien-1-yl-9-cyclohexa-1,5-dien-1-yl-N-[4-[4-(N-(9-cyclohex-2-en-1-yl-1,2,4a,9a-tetrahydrocarbazol-2-yl)anilino)-4-methylcyclohexa-1,5-dien-1-yl]phenyl]-2,3-dihydrocarbazol-2-amine has a molecular weight of 849.18 g/mol, XLogP of 12.92, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexa-1,3-dien-1-yl-9-cyclohexa-1,5-dien-1-yl-N-[4-[4-(N-(9-cyclohex-2-en-1-yl-1,2,4a,9a-tetrahydrocarbazol-2-yl)anilino)-4-methylcyclohexa-1,5-dien-1-yl]phenyl]-2,3-dihydrocarbazol-2-amine is sourced from PubChem (CID 170003390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).