3-cyclohexa-1,5-dien-1-yl-6-[(2Z,3Z)-3-ethylidene-1-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-2-[(5Z,7Z)-4-methylidenenona-1,5,7-trien-3-ylidene]indol-7-yl]-1-methyl-9-phenylcarbazole

C58H52N2 — CID 145109894

About 3-cyclohexa-1,5-dien-1-yl-6-[(2Z,3Z)-3-ethylidene-1-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-2-[(5Z,7Z)-4-methylidenenona-1,5,7-trien-3-ylidene]indol-7-yl]-1-methyl-9-phenylcarbazole

3-cyclohexa-1,5-dien-1-yl-6-[(2Z,3Z)-3-ethylidene-1-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-2-[(5Z,7Z)-4-methylidenenona-1,5,7-trien-3-ylidene]indol-7-yl]-1-methyl-9-phenylcarbazole (PubChem CID 145109894) has the molecular formula C58H52N2 and a molecular weight of 777.07 g/mol. Its IUPAC name is 3-cyclohexa-1,5-dien-1-yl-6-[(2Z,3Z)-3-ethylidene-1-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-2-[(5Z,7Z)-4-methylidenenona-1,5,7-trien-3-ylidene]indol-7-yl]-1-methyl-9-phenylcarbazole.

Molecular Properties

• Compound Name: 3-cyclohexa-1,5-dien-1-yl-6-[(2Z,3Z)-3-ethylidene-1-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-2-[(5Z,7Z)-4-methylidenenona-1,5,7-trien-3-ylidene]indol-7-yl]-1-methyl-9-phenylcarbazole
• PubChem CID: 145109894
• Molecular Formula: C58H52N2
• Molecular Weight: 777.07 g/mol
• Exact Mass: 776.41
• IUPAC Name: 3-cyclohexa-1,5-dien-1-yl-6-[(2Z,3Z)-3-ethylidene-1-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-2-[(5Z,7Z)-4-methylidenenona-1,5,7-trien-3-ylidene]indol-7-yl]-1-methyl-9-phenylcarbazole
• SMILES: C=C/C(C(=C)/C=C\C=C/C)=c1\c(=C/C)c2cccc(-c3ccc4c(c3)c3cc(C5=CCCC=C5)cc(C)c3n4-c3ccccc3)c2n1-c1ccc(/C(C=C)=C/C=C\C)cc1
• InChI: InChI=1S/C58H52N2/c1-8-13-17-23-40(6)49(11-4)57-50(12-5)52-30-22-29-51(58(52)60(57)48-34-31-44(32-35-48)42(10-3)24-14-9-2)45-33-36-55-53(38-45)54-39-46(43-25-18-15-19-26-43)37-41(7)56(54)59(55)47-27-20-16-21-28-47/h8-14,16-18,20-39H,3-4,6,15,19H2,1-2,5,7H3/b13-8-,14-9-,23-17-,42-24+,50-12-,57-49-
• InChIKey: VDVCRHPBLMBLCY-FVZFLUJSSA-N
• XLogP: 14.41
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	777.07
LogP ≤ 5	14.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,5-dien-1-yl-6-[(2Z,3Z)-3-ethylidene-1-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-2-[(5Z,7Z)-4-methylidenenona-1,5,7-trien-3-ylidene]indol-7-yl]-1-methyl-9-phenylcarbazole?

The IUPAC name of 3-cyclohexa-1,5-dien-1-yl-6-[(2Z,3Z)-3-ethylidene-1-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-2-[(5Z,7Z)-4-methylidenenona-1,5,7-trien-3-ylidene]indol-7-yl]-1-methyl-9-phenylcarbazole (CID 145109894) is 3-cyclohexa-1,5-dien-1-yl-6-[(2Z,3Z)-3-ethylidene-1-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-2-[(5Z,7Z)-4-methylidenenona-1,5,7-trien-3-ylidene]indol-7-yl]-1-methyl-9-phenylcarbazole.

What is the SMILES notation for 3-cyclohexa-1,5-dien-1-yl-6-[(2Z,3Z)-3-ethylidene-1-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-2-[(5Z,7Z)-4-methylidenenona-1,5,7-trien-3-ylidene]indol-7-yl]-1-methyl-9-phenylcarbazole?

The canonical SMILES for 3-cyclohexa-1,5-dien-1-yl-6-[(2Z,3Z)-3-ethylidene-1-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-2-[(5Z,7Z)-4-methylidenenona-1,5,7-trien-3-ylidene]indol-7-yl]-1-methyl-9-phenylcarbazole is C=C/C(C(=C)/C=C\C=C/C)=c1\c(=C/C)c2cccc(-c3ccc4c(c3)c3cc(C5=CCCC=C5)cc(C)c3n4-c3ccccc3)c2n1-c1ccc(/C(C=C)=C/C=C\C)cc1.

What is the InChIKey of 3-cyclohexa-1,5-dien-1-yl-6-[(2Z,3Z)-3-ethylidene-1-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-2-[(5Z,7Z)-4-methylidenenona-1,5,7-trien-3-ylidene]indol-7-yl]-1-methyl-9-phenylcarbazole?

The InChIKey is VDVCRHPBLMBLCY-FVZFLUJSSA-N. The full InChI is InChI=1S/C58H52N2/c1-8-13-17-23-40(6)49(11-4)57-50(12-5)52-30-22-29-51(58(52)60(57)48-34-31-44(32-35-48)42(10-3)24-14-9-2)45-33-36-55-53(38-45)54-39-46(43-25-18-15-19-26-43)37-41(7)56(54)59(55)47-27-20-16-21-28-47/h8-14,16-18,20-39H,3-4,6,15,19H2,1-2,5,7H3/b13-8-,14-9-,23-17-,42-24+,50-12-,57-49-.

What are the key properties of 3-cyclohexa-1,5-dien-1-yl-6-[(2Z,3Z)-3-ethylidene-1-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-2-[(5Z,7Z)-4-methylidenenona-1,5,7-trien-3-ylidene]indol-7-yl]-1-methyl-9-phenylcarbazole?

3-cyclohexa-1,5-dien-1-yl-6-[(2Z,3Z)-3-ethylidene-1-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-2-[(5Z,7Z)-4-methylidenenona-1,5,7-trien-3-ylidene]indol-7-yl]-1-methyl-9-phenylcarbazole has a molecular weight of 777.07 g/mol, XLogP of 14.41, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclohexa-1,5-dien-1-yl-6-[(2Z,3Z)-3-ethylidene-1-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-2-[(5Z,7Z)-4-methylidenenona-1,5,7-trien-3-ylidene]indol-7-yl]-1-methyl-9-phenylcarbazole is sourced from PubChem (CID 145109894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).