9-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-N,N-diphenylcarbazol-4-amine

C32H28N2 — CID 89037399

IUPAC9-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-N,N-diphenylcarbazol-4-amine
SMILESC=C/C=C\C=C(/C)n1c2ccccc2c2c(N(c3ccccc3)c3ccccc3)c(C)ccc21
InChIInChI=1S/C32H28N2/c1-4-5-8-15-25(3)33-29-21-14-13-20-28(29)31-30(33)23-22-24(2)32(31)34(26-16-9-6-10-17-26)27-18-11-7-12-19-27/h4-23H,1H2,2-3H3/b8-5-,25-15+
InChIKeyIFVOWBFUJXCUNV-ORNZCJNGSA-N
MW440.59 g/mol
LogP9.18
Rot. Bonds6

About 9-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-N,N-diphenylcarbazol-4-amine

9-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-N,N-diphenylcarbazol-4-amine (PubChem CID 89037399) has the molecular formula C32H28N2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 9-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-N,N-diphenylcarbazol-4-amine.

Molecular Properties

Compound Name9-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-N,N-diphenylcarbazol-4-amine
PubChem CID89037399
Molecular FormulaC32H28N2
Molecular Weight440.59 g/mol
Exact Mass440.23
IUPAC Name9-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-N,N-diphenylcarbazol-4-amine
SMILESC=C/C=C\C=C(/C)n1c2ccccc2c2c(N(c3ccccc3)c3ccccc3)c(C)ccc21
InChIInChI=1S/C32H28N2/c1-4-5-8-15-25(3)33-29-21-14-13-20-28(29)31-30(33)23-22-24(2)32(31)34(26-16-9-6-10-17-26)27-18-11-7-12-19-27/h4-23H,1H2,2-3H3/b8-5-,25-15+
InChIKeyIFVOWBFUJXCUNV-ORNZCJNGSA-N
XLogP9.18
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 59.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-N,N-diphenylcarbazol-4-amine?
The IUPAC name of 9-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-N,N-diphenylcarbazol-4-amine (CID 89037399) is 9-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-N,N-diphenylcarbazol-4-amine.
What is the SMILES notation for 9-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-N,N-diphenylcarbazol-4-amine?
The canonical SMILES for 9-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-N,N-diphenylcarbazol-4-amine is C=C/C=C\C=C(/C)n1c2ccccc2c2c(N(c3ccccc3)c3ccccc3)c(C)ccc21.
What is the InChIKey of 9-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-N,N-diphenylcarbazol-4-amine?
The InChIKey is IFVOWBFUJXCUNV-ORNZCJNGSA-N. The full InChI is InChI=1S/C32H28N2/c1-4-5-8-15-25(3)33-29-21-14-13-20-28(29)31-30(33)23-22-24(2)32(31)34(26-16-9-6-10-17-26)27-18-11-7-12-19-27/h4-23H,1H2,2-3H3/b8-5-,25-15+.
What are the key properties of 9-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-N,N-diphenylcarbazol-4-amine?
9-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-N,N-diphenylcarbazol-4-amine has a molecular weight of 440.59 g/mol, XLogP of 9.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-N,N-diphenylcarbazol-4-amine is sourced from PubChem (CID 89037399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).