N-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phenyl]-9-naphthalen-2-ylcarbazol-3-amine

C35H28N2 — CID 129103361

IUPACN-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phenyl]-9-naphthalen-2-ylcarbazol-3-amine
SMILESC=C/C=C\C=C(/C)c1ccc(Nc2ccc3c(c2)c2ccccc2n3-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C35H28N2/c1-3-4-5-10-25(2)26-15-18-29(19-16-26)36-30-20-22-35-33(24-30)32-13-8-9-14-34(32)37(35)31-21-17-27-11-6-7-12-28(27)23-31/h3-24,36H,1H2,2H3/b5-4-,25-10+
InChIKeyVZVMXAXCKOQQIN-PBWOMXCXSA-N
MW476.62 g/mol
LogP9.83
Rot. Bonds6

About N-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phenyl]-9-naphthalen-2-ylcarbazol-3-amine

N-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phenyl]-9-naphthalen-2-ylcarbazol-3-amine (PubChem CID 129103361) has the molecular formula C35H28N2 and a molecular weight of 476.62 g/mol. Its IUPAC name is N-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phenyl]-9-naphthalen-2-ylcarbazol-3-amine.

Molecular Properties

Compound NameN-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phenyl]-9-naphthalen-2-ylcarbazol-3-amine
PubChem CID129103361
Molecular FormulaC35H28N2
Molecular Weight476.62 g/mol
Exact Mass476.23
IUPAC NameN-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phenyl]-9-naphthalen-2-ylcarbazol-3-amine
SMILESC=C/C=C\C=C(/C)c1ccc(Nc2ccc3c(c2)c2ccccc2n3-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C35H28N2/c1-3-4-5-10-25(2)26-15-18-29(19-16-26)36-30-20-22-35-33(24-30)32-13-8-9-14-34(32)37(35)31-21-17-27-11-6-7-12-28(27)23-31/h3-24,36H,1H2,2H3/b5-4-,25-10+
InChIKeyVZVMXAXCKOQQIN-PBWOMXCXSA-N
XLogP9.83
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 59.83
H-Bond Donors ≤ 51
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 N-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phenyl]-9-naphthalen-2-ylcarbazol-3-amine?
The IUPAC name of N-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phenyl]-9-naphthalen-2-ylcarbazol-3-amine (CID 129103361) is N-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phenyl]-9-naphthalen-2-ylcarbazol-3-amine.
What is the SMILES notation for N-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phenyl]-9-naphthalen-2-ylcarbazol-3-amine?
The canonical SMILES for N-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phenyl]-9-naphthalen-2-ylcarbazol-3-amine is C=C/C=C\C=C(/C)c1ccc(Nc2ccc3c(c2)c2ccccc2n3-c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phenyl]-9-naphthalen-2-ylcarbazol-3-amine?
The InChIKey is VZVMXAXCKOQQIN-PBWOMXCXSA-N. The full InChI is InChI=1S/C35H28N2/c1-3-4-5-10-25(2)26-15-18-29(19-16-26)36-30-20-22-35-33(24-30)32-13-8-9-14-34(32)37(35)31-21-17-27-11-6-7-12-28(27)23-31/h3-24,36H,1H2,2H3/b5-4-,25-10+.
What are the key properties of N-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phenyl]-9-naphthalen-2-ylcarbazol-3-amine?
N-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phenyl]-9-naphthalen-2-ylcarbazol-3-amine has a molecular weight of 476.62 g/mol, XLogP of 9.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phenyl]-9-naphthalen-2-ylcarbazol-3-amine is sourced from PubChem (CID 129103361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).