(1E,3E)-4-methyl-2-[(11Z)-5-methylidenebenzo[d][1]benzazocin-10-yl]-5-phenylpenta-1,3-dien-1-amine

C28H26N2 — CID 145299490

IUPAC(1E,3E)-4-methyl-2-[(11Z)-5-methylidenebenzo[d][1]benzazocin-10-yl]-5-phenylpenta-1,3-dien-1-amine
SMILESC=C1c2ccccc2/C=C\N(C(/C=C(\C)Cc2ccccc2)=C/N)c2ccccc21
InChIInChI=1S/C28H26N2/c1-21(18-23-10-4-3-5-11-23)19-25(20-29)30-17-16-24-12-6-7-13-26(24)22(2)27-14-8-9-15-28(27)30/h3-17,19-20H,2,18,29H2,1H3/b17-16-,21-19+,25-20+
InChIKeyFRICDTGNENRRLQ-AHVNKWRJSA-N
MW390.53 g/mol
LogP6.53
Rot. Bonds4

About (1E,3E)-4-methyl-2-[(11Z)-5-methylidenebenzo[d][1]benzazocin-10-yl]-5-phenylpenta-1,3-dien-1-amine

(1E,3E)-4-methyl-2-[(11Z)-5-methylidenebenzo[d][1]benzazocin-10-yl]-5-phenylpenta-1,3-dien-1-amine (PubChem CID 145299490) has the molecular formula C28H26N2 and a molecular weight of 390.53 g/mol. Its IUPAC name is (1E,3E)-4-methyl-2-[(11Z)-5-methylidenebenzo[d][1]benzazocin-10-yl]-5-phenylpenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3E)-4-methyl-2-[(11Z)-5-methylidenebenzo[d][1]benzazocin-10-yl]-5-phenylpenta-1,3-dien-1-amine
PubChem CID145299490
Molecular FormulaC28H26N2
Molecular Weight390.53 g/mol
Exact Mass390.21
IUPAC Name(1E,3E)-4-methyl-2-[(11Z)-5-methylidenebenzo[d][1]benzazocin-10-yl]-5-phenylpenta-1,3-dien-1-amine
SMILESC=C1c2ccccc2/C=C\N(C(/C=C(\C)Cc2ccccc2)=C/N)c2ccccc21
InChIInChI=1S/C28H26N2/c1-21(18-23-10-4-3-5-11-23)19-25(20-29)30-17-16-24-12-6-7-13-26(24)22(2)27-14-8-9-15-28(27)30/h3-17,19-20H,2,18,29H2,1H3/b17-16-,21-19+,25-20+
InChIKeyFRICDTGNENRRLQ-AHVNKWRJSA-N
XLogP6.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-benzo[d][1]benzazepin-5-yl-2-chloroethanone
CID 70241947
(E)-3-methyl-4-phenylbut-2-enoic acid
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(10Z,13Z)-12-methyl-2,3-dimethylidene-12-azatricyclo[13.4.0.04,9]nonadeca-1(19),4,6,8,10,13,15,17-octaene
CID 145387131
3-methyl-4-phenylbut-2-enoic acid
CID 22414
[(Z)-2-methylbut-2-enyl]benzene
CID 59870366
(E)-4-methyl-1,5-diphenylpent-3-en-2-one
CID 12877597
5-methylbenzo[d][1]benzazepine
CID 67174397
ethyl (Z)-3-methyl-4-phenylbut-2-enoate
CID 14661101
(3-chloro-2-methylprop-2-enyl)benzene
CID 71327936
azane;(3-fluoro-2-methylprop-2-enyl)benzene
CID 70515624
(2-methyl-3-phenylprop-1-enyl)benzene
CID 15841501
benzene;1-phenylpropan-2-one
CID 21430852

Frequently Asked Questions

What is the IUPAC name of (1E,3E)-4-methyl-2-[(11Z)-5-methylidenebenzo[d][1]benzazocin-10-yl]-5-phenylpenta-1,3-dien-1-amine?
The IUPAC name of (1E,3E)-4-methyl-2-[(11Z)-5-methylidenebenzo[d][1]benzazocin-10-yl]-5-phenylpenta-1,3-dien-1-amine (CID 145299490) is (1E,3E)-4-methyl-2-[(11Z)-5-methylidenebenzo[d][1]benzazocin-10-yl]-5-phenylpenta-1,3-dien-1-amine.
What is the SMILES notation for (1E,3E)-4-methyl-2-[(11Z)-5-methylidenebenzo[d][1]benzazocin-10-yl]-5-phenylpenta-1,3-dien-1-amine?
The canonical SMILES for (1E,3E)-4-methyl-2-[(11Z)-5-methylidenebenzo[d][1]benzazocin-10-yl]-5-phenylpenta-1,3-dien-1-amine is C=C1c2ccccc2/C=C\N(C(/C=C(\C)Cc2ccccc2)=C/N)c2ccccc21.
What is the InChIKey of (1E,3E)-4-methyl-2-[(11Z)-5-methylidenebenzo[d][1]benzazocin-10-yl]-5-phenylpenta-1,3-dien-1-amine?
The InChIKey is FRICDTGNENRRLQ-AHVNKWRJSA-N. The full InChI is InChI=1S/C28H26N2/c1-21(18-23-10-4-3-5-11-23)19-25(20-29)30-17-16-24-12-6-7-13-26(24)22(2)27-14-8-9-15-28(27)30/h3-17,19-20H,2,18,29H2,1H3/b17-16-,21-19+,25-20+.
What are the key properties of (1E,3E)-4-methyl-2-[(11Z)-5-methylidenebenzo[d][1]benzazocin-10-yl]-5-phenylpenta-1,3-dien-1-amine?
(1E,3E)-4-methyl-2-[(11Z)-5-methylidenebenzo[d][1]benzazocin-10-yl]-5-phenylpenta-1,3-dien-1-amine has a molecular weight of 390.53 g/mol, XLogP of 6.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-4-methyl-2-[(11Z)-5-methylidenebenzo[d][1]benzazocin-10-yl]-5-phenylpenta-1,3-dien-1-amine is sourced from PubChem (CID 145299490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).