(3E)-N-[(Z)-[(3Z)-1,1-dimethyl-3-prop-2-enylideneinden-2-ylidene]methyl]-1-phenylhexa-1,3,5-trien-3-amine

C27H27N — CID 145362304

IUPAC(3E)-N-[(Z)-[(3Z)-1,1-dimethyl-3-prop-2-enylideneinden-2-ylidene]methyl]-1-phenylhexa-1,3,5-trien-3-amine
SMILESC=C/C=C1C(=C/N/C(C=Cc2ccccc2)=C/C=C)\C(C)(C)c2ccccc2\1
InChIInChI=1S/C27H27N/c1-5-12-22(19-18-21-14-8-7-9-15-21)28-20-26-23(13-6-2)24-16-10-11-17-25(24)27(26,3)4/h5-20,28H,1-2H2,3-4H3/b19-18?,22-12+,23-13-,26-20+
InChIKeyCQGGYBXCRUMEHO-GFUWLMQPSA-N
MW365.52 g/mol
LogP6.80
Rot. Bonds6

About (3E)-N-[(Z)-[(3Z)-1,1-dimethyl-3-prop-2-enylideneinden-2-ylidene]methyl]-1-phenylhexa-1,3,5-trien-3-amine

(3E)-N-[(Z)-[(3Z)-1,1-dimethyl-3-prop-2-enylideneinden-2-ylidene]methyl]-1-phenylhexa-1,3,5-trien-3-amine (PubChem CID 145362304) has the molecular formula C27H27N and a molecular weight of 365.52 g/mol. Its IUPAC name is (3E)-N-[(Z)-[(3Z)-1,1-dimethyl-3-prop-2-enylideneinden-2-ylidene]methyl]-1-phenylhexa-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E)-N-[(Z)-[(3Z)-1,1-dimethyl-3-prop-2-enylideneinden-2-ylidene]methyl]-1-phenylhexa-1,3,5-trien-3-amine
PubChem CID145362304
Molecular FormulaC27H27N
Molecular Weight365.52 g/mol
Exact Mass365.21
IUPAC Name(3E)-N-[(Z)-[(3Z)-1,1-dimethyl-3-prop-2-enylideneinden-2-ylidene]methyl]-1-phenylhexa-1,3,5-trien-3-amine
SMILESC=C/C=C1C(=C/N/C(C=Cc2ccccc2)=C/C=C)\C(C)(C)c2ccccc2\1
InChIInChI=1S/C27H27N/c1-5-12-22(19-18-21-14-8-7-9-15-21)28-20-26-23(13-6-2)24-16-10-11-17-25(24)27(26,3)4/h5-20,28H,1-2H2,3-4H3/b19-18?,22-12+,23-13-,26-20+
InChIKeyCQGGYBXCRUMEHO-GFUWLMQPSA-N
XLogP6.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-N-[(Z)-[(3Z)-1,1-dimethyl-3-prop-2-enylideneinden-2-ylidene]methyl]-1-phenylhexa-1,3,5-trien-3-amine?
The IUPAC name of (3E)-N-[(Z)-[(3Z)-1,1-dimethyl-3-prop-2-enylideneinden-2-ylidene]methyl]-1-phenylhexa-1,3,5-trien-3-amine (CID 145362304) is (3E)-N-[(Z)-[(3Z)-1,1-dimethyl-3-prop-2-enylideneinden-2-ylidene]methyl]-1-phenylhexa-1,3,5-trien-3-amine.
What is the SMILES notation for (3E)-N-[(Z)-[(3Z)-1,1-dimethyl-3-prop-2-enylideneinden-2-ylidene]methyl]-1-phenylhexa-1,3,5-trien-3-amine?
The canonical SMILES for (3E)-N-[(Z)-[(3Z)-1,1-dimethyl-3-prop-2-enylideneinden-2-ylidene]methyl]-1-phenylhexa-1,3,5-trien-3-amine is C=C/C=C1C(=C/N/C(C=Cc2ccccc2)=C/C=C)\C(C)(C)c2ccccc2\1.
What is the InChIKey of (3E)-N-[(Z)-[(3Z)-1,1-dimethyl-3-prop-2-enylideneinden-2-ylidene]methyl]-1-phenylhexa-1,3,5-trien-3-amine?
The InChIKey is CQGGYBXCRUMEHO-GFUWLMQPSA-N. The full InChI is InChI=1S/C27H27N/c1-5-12-22(19-18-21-14-8-7-9-15-21)28-20-26-23(13-6-2)24-16-10-11-17-25(24)27(26,3)4/h5-20,28H,1-2H2,3-4H3/b19-18?,22-12+,23-13-,26-20+.
What are the key properties of (3E)-N-[(Z)-[(3Z)-1,1-dimethyl-3-prop-2-enylideneinden-2-ylidene]methyl]-1-phenylhexa-1,3,5-trien-3-amine?
(3E)-N-[(Z)-[(3Z)-1,1-dimethyl-3-prop-2-enylideneinden-2-ylidene]methyl]-1-phenylhexa-1,3,5-trien-3-amine has a molecular weight of 365.52 g/mol, XLogP of 6.80, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-[(Z)-[(3Z)-1,1-dimethyl-3-prop-2-enylideneinden-2-ylidene]methyl]-1-phenylhexa-1,3,5-trien-3-amine is sourced from PubChem (CID 145362304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).