1-[(1E)-1-(1,3-dimethyl-1-prop-2-enylbenzo[e]indol-2-ylidene)-3-methylhex-5-en-3-yl]-N-methylnaphthalen-2-amine

C35H38N2 — CID 143551533

IUPAC1-[(1E)-1-(1,3-dimethyl-1-prop-2-enylbenzo[e]indol-2-ylidene)-3-methylhex-5-en-3-yl]-N-methylnaphthalen-2-amine
SMILESC=CCC(C)(C/C=C1/N(C)c2ccc3ccccc3c2C1(C)CC=C)c1c(NC)ccc2ccccc12
InChIInChI=1S/C35H38N2/c1-7-22-34(3,32-27-15-11-9-13-25(27)17-19-29(32)36-5)24-21-31-35(4,23-8-2)33-28-16-12-10-14-26(28)18-20-30(33)37(31)6/h7-21,36H,1-2,22-24H2,3-6H3/b31-21+
InChIKeyCEOWSARAQADWAI-NJZRLIGZSA-N
MW486.70 g/mol
LogP9.13
Rot. Bonds8

About 1-[(1E)-1-(1,3-dimethyl-1-prop-2-enylbenzo[e]indol-2-ylidene)-3-methylhex-5-en-3-yl]-N-methylnaphthalen-2-amine

1-[(1E)-1-(1,3-dimethyl-1-prop-2-enylbenzo[e]indol-2-ylidene)-3-methylhex-5-en-3-yl]-N-methylnaphthalen-2-amine (PubChem CID 143551533) has the molecular formula C35H38N2 and a molecular weight of 486.70 g/mol. Its IUPAC name is 1-[(1E)-1-(1,3-dimethyl-1-prop-2-enylbenzo[e]indol-2-ylidene)-3-methylhex-5-en-3-yl]-N-methylnaphthalen-2-amine.

Molecular Properties

Compound Name1-[(1E)-1-(1,3-dimethyl-1-prop-2-enylbenzo[e]indol-2-ylidene)-3-methylhex-5-en-3-yl]-N-methylnaphthalen-2-amine
PubChem CID143551533
Molecular FormulaC35H38N2
Molecular Weight486.70 g/mol
Exact Mass486.30
IUPAC Name1-[(1E)-1-(1,3-dimethyl-1-prop-2-enylbenzo[e]indol-2-ylidene)-3-methylhex-5-en-3-yl]-N-methylnaphthalen-2-amine
SMILESC=CCC(C)(C/C=C1/N(C)c2ccc3ccccc3c2C1(C)CC=C)c1c(NC)ccc2ccccc12
InChIInChI=1S/C35H38N2/c1-7-22-34(3,32-27-15-11-9-13-25(27)17-19-29(32)36-5)24-21-31-35(4,23-8-2)33-28-16-12-10-14-26(28)18-20-30(33)37(31)6/h7-21,36H,1-2,22-24H2,3-6H3/b31-21+
InChIKeyCEOWSARAQADWAI-NJZRLIGZSA-N
XLogP9.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.70
LogP ≤ 59.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1E)-1-(1,3-dimethyl-1-prop-2-enylbenzo[e]indol-2-ylidene)-3-methylhex-5-en-3-yl]-N-methylnaphthalen-2-amine?
The IUPAC name of 1-[(1E)-1-(1,3-dimethyl-1-prop-2-enylbenzo[e]indol-2-ylidene)-3-methylhex-5-en-3-yl]-N-methylnaphthalen-2-amine (CID 143551533) is 1-[(1E)-1-(1,3-dimethyl-1-prop-2-enylbenzo[e]indol-2-ylidene)-3-methylhex-5-en-3-yl]-N-methylnaphthalen-2-amine.
What is the SMILES notation for 1-[(1E)-1-(1,3-dimethyl-1-prop-2-enylbenzo[e]indol-2-ylidene)-3-methylhex-5-en-3-yl]-N-methylnaphthalen-2-amine?
The canonical SMILES for 1-[(1E)-1-(1,3-dimethyl-1-prop-2-enylbenzo[e]indol-2-ylidene)-3-methylhex-5-en-3-yl]-N-methylnaphthalen-2-amine is C=CCC(C)(C/C=C1/N(C)c2ccc3ccccc3c2C1(C)CC=C)c1c(NC)ccc2ccccc12.
What is the InChIKey of 1-[(1E)-1-(1,3-dimethyl-1-prop-2-enylbenzo[e]indol-2-ylidene)-3-methylhex-5-en-3-yl]-N-methylnaphthalen-2-amine?
The InChIKey is CEOWSARAQADWAI-NJZRLIGZSA-N. The full InChI is InChI=1S/C35H38N2/c1-7-22-34(3,32-27-15-11-9-13-25(27)17-19-29(32)36-5)24-21-31-35(4,23-8-2)33-28-16-12-10-14-26(28)18-20-30(33)37(31)6/h7-21,36H,1-2,22-24H2,3-6H3/b31-21+.
What are the key properties of 1-[(1E)-1-(1,3-dimethyl-1-prop-2-enylbenzo[e]indol-2-ylidene)-3-methylhex-5-en-3-yl]-N-methylnaphthalen-2-amine?
1-[(1E)-1-(1,3-dimethyl-1-prop-2-enylbenzo[e]indol-2-ylidene)-3-methylhex-5-en-3-yl]-N-methylnaphthalen-2-amine has a molecular weight of 486.70 g/mol, XLogP of 9.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E)-1-(1,3-dimethyl-1-prop-2-enylbenzo[e]indol-2-ylidene)-3-methylhex-5-en-3-yl]-N-methylnaphthalen-2-amine is sourced from PubChem (CID 143551533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).