3,4-bis(ethenyl)-7-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-9,9-dimethyl-2-N-[(1E)-1-(2-methylidene-1-benzofuran-3-ylidene)prop-2-enyl]-7-N-(3-methylphenyl)-2-N-phenylfluorene-2,7-diamine

C51H48N2O — CID 144613666

About 3,4-bis(ethenyl)-7-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-9,9-dimethyl-2-N-[(1E)-1-(2-methylidene-1-benzofuran-3-ylidene)prop-2-enyl]-7-N-(3-methylphenyl)-2-N-phenylfluorene-2,7-diamine

3,4-bis(ethenyl)-7-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-9,9-dimethyl-2-N-[(1E)-1-(2-methylidene-1-benzofuran-3-ylidene)prop-2-enyl]-7-N-(3-methylphenyl)-2-N-phenylfluorene-2,7-diamine (PubChem CID 144613666) has the molecular formula C51H48N2O and a molecular weight of 704.96 g/mol. Its IUPAC name is 3,4-bis(ethenyl)-7-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-9,9-dimethyl-2-N-[(1E)-1-(2-methylidene-1-benzofuran-3-ylidene)prop-2-enyl]-7-N-(3-methylphenyl)-2-N-phenylfluorene-2,7-diamine.

Molecular Properties

• Compound Name: 3,4-bis(ethenyl)-7-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-9,9-dimethyl-2-N-[(1E)-1-(2-methylidene-1-benzofuran-3-ylidene)prop-2-enyl]-7-N-(3-methylphenyl)-2-N-phenylfluorene-2,7-diamine
• PubChem CID: 144613666
• Molecular Formula: C51H48N2O
• Molecular Weight: 704.96 g/mol
• Exact Mass: 704.38
• IUPAC Name: 3,4-bis(ethenyl)-7-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-9,9-dimethyl-2-N-[(1E)-1-(2-methylidene-1-benzofuran-3-ylidene)prop-2-enyl]-7-N-(3-methylphenyl)-2-N-phenylfluorene-2,7-diamine
• SMILES: C=C/C(=c1\c(=C)oc2ccccc12)N(c1ccccc1)c1cc2c(c(C=C)c1C=C)-c1ccc(N(C(/C=C\C)=C/CC)c3cccc(C)c3)cc1C2(C)C
• InChI: InChI=1S/C51H48N2O/c1-10-21-36(22-11-2)52(38-26-20-23-34(6)31-38)39-29-30-42-44(32-39)51(8,9)45-33-47(40(12-3)41(13-4)50(42)45)53(37-24-16-15-17-25-37)46(14-5)49-35(7)54-48-28-19-18-27-43(48)49/h10,12-33H,3-5,7,11H2,1-2,6,8-9H3/b21-10-,36-22+,49-46-
• InChIKey: FRYJBGDVPIKBRF-BGJMQKSGSA-N
• XLogP: 12.88
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	704.96
LogP ≤ 5	12.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(ethenyl)-7-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-9,9-dimethyl-2-N-[(1E)-1-(2-methylidene-1-benzofuran-3-ylidene)prop-2-enyl]-7-N-(3-methylphenyl)-2-N-phenylfluorene-2,7-diamine?

The IUPAC name of 3,4-bis(ethenyl)-7-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-9,9-dimethyl-2-N-[(1E)-1-(2-methylidene-1-benzofuran-3-ylidene)prop-2-enyl]-7-N-(3-methylphenyl)-2-N-phenylfluorene-2,7-diamine (CID 144613666) is 3,4-bis(ethenyl)-7-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-9,9-dimethyl-2-N-[(1E)-1-(2-methylidene-1-benzofuran-3-ylidene)prop-2-enyl]-7-N-(3-methylphenyl)-2-N-phenylfluorene-2,7-diamine.

What is the SMILES notation for 3,4-bis(ethenyl)-7-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-9,9-dimethyl-2-N-[(1E)-1-(2-methylidene-1-benzofuran-3-ylidene)prop-2-enyl]-7-N-(3-methylphenyl)-2-N-phenylfluorene-2,7-diamine?

The canonical SMILES for 3,4-bis(ethenyl)-7-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-9,9-dimethyl-2-N-[(1E)-1-(2-methylidene-1-benzofuran-3-ylidene)prop-2-enyl]-7-N-(3-methylphenyl)-2-N-phenylfluorene-2,7-diamine is C=C/C(=c1\c(=C)oc2ccccc12)N(c1ccccc1)c1cc2c(c(C=C)c1C=C)-c1ccc(N(C(/C=C\C)=C/CC)c3cccc(C)c3)cc1C2(C)C.

What is the InChIKey of 3,4-bis(ethenyl)-7-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-9,9-dimethyl-2-N-[(1E)-1-(2-methylidene-1-benzofuran-3-ylidene)prop-2-enyl]-7-N-(3-methylphenyl)-2-N-phenylfluorene-2,7-diamine?

The InChIKey is FRYJBGDVPIKBRF-BGJMQKSGSA-N. The full InChI is InChI=1S/C51H48N2O/c1-10-21-36(22-11-2)52(38-26-20-23-34(6)31-38)39-29-30-42-44(32-39)51(8,9)45-33-47(40(12-3)41(13-4)50(42)45)53(37-24-16-15-17-25-37)46(14-5)49-35(7)54-48-28-19-18-27-43(48)49/h10,12-33H,3-5,7,11H2,1-2,6,8-9H3/b21-10-,36-22+,49-46-.

What are the key properties of 3,4-bis(ethenyl)-7-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-9,9-dimethyl-2-N-[(1E)-1-(2-methylidene-1-benzofuran-3-ylidene)prop-2-enyl]-7-N-(3-methylphenyl)-2-N-phenylfluorene-2,7-diamine?

3,4-bis(ethenyl)-7-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-9,9-dimethyl-2-N-[(1E)-1-(2-methylidene-1-benzofuran-3-ylidene)prop-2-enyl]-7-N-(3-methylphenyl)-2-N-phenylfluorene-2,7-diamine has a molecular weight of 704.96 g/mol, XLogP of 12.88, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-bis(ethenyl)-7-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-9,9-dimethyl-2-N-[(1E)-1-(2-methylidene-1-benzofuran-3-ylidene)prop-2-enyl]-7-N-(3-methylphenyl)-2-N-phenylfluorene-2,7-diamine is sourced from PubChem (CID 144613666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).