ethane;3-[3-[(2E,3Z)-3-ethylidene-2-prop-2-enylideneindol-1-yl]cyclopenta-1,2-dien-1-yl]-9-(3-phenylphenyl)carbazole;(2Z,4Z)-hexa-2,4-diene

C56H66N2 — CID 145322648

About ethane;3-[3-[(2E,3Z)-3-ethylidene-2-prop-2-enylideneindol-1-yl]cyclopenta-1,2-dien-1-yl]-9-(3-phenylphenyl)carbazole;(2Z,4Z)-hexa-2,4-diene

ethane;3-[3-[(2E,3Z)-3-ethylidene-2-prop-2-enylideneindol-1-yl]cyclopenta-1,2-dien-1-yl]-9-(3-phenylphenyl)carbazole;(2Z,4Z)-hexa-2,4-diene (PubChem CID 145322648) has the molecular formula C56H66N2 and a molecular weight of 767.16 g/mol. Its IUPAC name is ethane;3-[3-[(2E,3Z)-3-ethylidene-2-prop-2-enylideneindol-1-yl]cyclopenta-1,2-dien-1-yl]-9-(3-phenylphenyl)carbazole;(2Z,4Z)-hexa-2,4-diene.

Molecular Properties

• Compound Name: ethane;3-[3-[(2E,3Z)-3-ethylidene-2-prop-2-enylideneindol-1-yl]cyclopenta-1,2-dien-1-yl]-9-(3-phenylphenyl)carbazole;(2Z,4Z)-hexa-2,4-diene
• PubChem CID: 145322648
• Molecular Formula: C56H66N2
• Molecular Weight: 767.16 g/mol
• Exact Mass: 766.52
• IUPAC Name: ethane;3-[3-[(2E,3Z)-3-ethylidene-2-prop-2-enylideneindol-1-yl]cyclopenta-1,2-dien-1-yl]-9-(3-phenylphenyl)carbazole;(2Z,4Z)-hexa-2,4-diene
• SMILES: C/C=C\C=C/C.C=C/C=c1\c(=C/C)c2ccccc2n1C1=C=C(c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3ccccc3)c2)CC1.CC.CC.CC.CC
• InChI: InChI=1S/C42H32N2.C6H10.4C2H6/c1-3-13-39-35(4-2)36-18-8-10-20-40(36)44(39)34-24-22-31(27-34)32-23-25-42-38(28-32)37-19-9-11-21-41(37)43(42)33-17-12-16-30(26-33)29-14-6-5-7-15-29;1-3-5-6-4-2;4*1-2/h3-21,23,25-26,28H,1,22,24H2,2H3;3-6H,1-2H3;4*1-2H3/b35-4-,39-13+;5-3-,6-4-
• InChIKey: QFXGMCQTSUXXFN-QCNRSOLLSA-N
• XLogP: 15.73
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	767.16
LogP ≤ 5	15.73
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 ethane;3-[3-[(2E,3Z)-3-ethylidene-2-prop-2-enylideneindol-1-yl]cyclopenta-1,2-dien-1-yl]-9-(3-phenylphenyl)carbazole;(2Z,4Z)-hexa-2,4-diene?

The IUPAC name of ethane;3-[3-[(2E,3Z)-3-ethylidene-2-prop-2-enylideneindol-1-yl]cyclopenta-1,2-dien-1-yl]-9-(3-phenylphenyl)carbazole;(2Z,4Z)-hexa-2,4-diene (CID 145322648) is ethane;3-[3-[(2E,3Z)-3-ethylidene-2-prop-2-enylideneindol-1-yl]cyclopenta-1,2-dien-1-yl]-9-(3-phenylphenyl)carbazole;(2Z,4Z)-hexa-2,4-diene.

What is the SMILES notation for ethane;3-[3-[(2E,3Z)-3-ethylidene-2-prop-2-enylideneindol-1-yl]cyclopenta-1,2-dien-1-yl]-9-(3-phenylphenyl)carbazole;(2Z,4Z)-hexa-2,4-diene?

The canonical SMILES for ethane;3-[3-[(2E,3Z)-3-ethylidene-2-prop-2-enylideneindol-1-yl]cyclopenta-1,2-dien-1-yl]-9-(3-phenylphenyl)carbazole;(2Z,4Z)-hexa-2,4-diene is C/C=C\C=C/C.C=C/C=c1\c(=C/C)c2ccccc2n1C1=C=C(c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3ccccc3)c2)CC1.CC.CC.CC.CC.

What is the InChIKey of ethane;3-[3-[(2E,3Z)-3-ethylidene-2-prop-2-enylideneindol-1-yl]cyclopenta-1,2-dien-1-yl]-9-(3-phenylphenyl)carbazole;(2Z,4Z)-hexa-2,4-diene?

The InChIKey is QFXGMCQTSUXXFN-QCNRSOLLSA-N. The full InChI is InChI=1S/C42H32N2.C6H10.4C2H6/c1-3-13-39-35(4-2)36-18-8-10-20-40(36)44(39)34-24-22-31(27-34)32-23-25-42-38(28-32)37-19-9-11-21-41(37)43(42)33-17-12-16-30(26-33)29-14-6-5-7-15-29;1-3-5-6-4-2;4*1-2/h3-21,23,25-26,28H,1,22,24H2,2H3;3-6H,1-2H3;4*1-2H3/b35-4-,39-13+;5-3-,6-4-;;;;.

What are the key properties of ethane;3-[3-[(2E,3Z)-3-ethylidene-2-prop-2-enylideneindol-1-yl]cyclopenta-1,2-dien-1-yl]-9-(3-phenylphenyl)carbazole;(2Z,4Z)-hexa-2,4-diene?

ethane;3-[3-[(2E,3Z)-3-ethylidene-2-prop-2-enylideneindol-1-yl]cyclopenta-1,2-dien-1-yl]-9-(3-phenylphenyl)carbazole;(2Z,4Z)-hexa-2,4-diene has a molecular weight of 767.16 g/mol, XLogP of 15.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;3-[3-[(2E,3Z)-3-ethylidene-2-prop-2-enylideneindol-1-yl]cyclopenta-1,2-dien-1-yl]-9-(3-phenylphenyl)carbazole;(2Z,4Z)-hexa-2,4-diene is sourced from PubChem (CID 145322648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).