N-(4-ethenylphenyl)-N-phenyl-1,9-dihydropyren-1-amine

C30H23N — CID 89006319

IUPACN-(4-ethenylphenyl)-N-phenyl-1,9-dihydropyren-1-amine
SMILESC=Cc1ccc(N(c2ccccc2)C2C=Cc3ccc4cccc5c4c3C2=CC5)cc1
InChIInChI=1S/C30H23N/c1-2-21-11-17-26(18-12-21)31(25-9-4-3-5-10-25)28-20-16-24-14-13-22-7-6-8-23-15-19-27(28)30(24)29(22)23/h2-14,16-20,28H,1,15H2
InChIKeyLTCYQKBDKBMQBU-UHFFFAOYSA-N
MW397.52 g/mol
LogP7.66
Rot. Bonds4

About N-(4-ethenylphenyl)-N-phenyl-1,9-dihydropyren-1-amine

N-(4-ethenylphenyl)-N-phenyl-1,9-dihydropyren-1-amine (PubChem CID 89006319) has the molecular formula C30H23N and a molecular weight of 397.52 g/mol. Its IUPAC name is N-(4-ethenylphenyl)-N-phenyl-1,9-dihydropyren-1-amine.

Molecular Properties

Compound NameN-(4-ethenylphenyl)-N-phenyl-1,9-dihydropyren-1-amine
PubChem CID89006319
Molecular FormulaC30H23N
Molecular Weight397.52 g/mol
Exact Mass397.18
IUPAC NameN-(4-ethenylphenyl)-N-phenyl-1,9-dihydropyren-1-amine
SMILESC=Cc1ccc(N(c2ccccc2)C2C=Cc3ccc4cccc5c4c3C2=CC5)cc1
InChIInChI=1S/C30H23N/c1-2-21-11-17-26(18-12-21)31(25-9-4-3-5-10-25)28-20-16-24-14-13-22-7-6-8-23-15-19-27(28)30(24)29(22)23/h2-14,16-20,28H,1,15H2
InChIKeyLTCYQKBDKBMQBU-UHFFFAOYSA-N
XLogP7.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethenylphenyl)-N-phenyl-1,9-dihydropyren-1-amine?
The IUPAC name of N-(4-ethenylphenyl)-N-phenyl-1,9-dihydropyren-1-amine (CID 89006319) is N-(4-ethenylphenyl)-N-phenyl-1,9-dihydropyren-1-amine.
What is the SMILES notation for N-(4-ethenylphenyl)-N-phenyl-1,9-dihydropyren-1-amine?
The canonical SMILES for N-(4-ethenylphenyl)-N-phenyl-1,9-dihydropyren-1-amine is C=Cc1ccc(N(c2ccccc2)C2C=Cc3ccc4cccc5c4c3C2=CC5)cc1.
What is the InChIKey of N-(4-ethenylphenyl)-N-phenyl-1,9-dihydropyren-1-amine?
The InChIKey is LTCYQKBDKBMQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N/c1-2-21-11-17-26(18-12-21)31(25-9-4-3-5-10-25)28-20-16-24-14-13-22-7-6-8-23-15-19-27(28)30(24)29(22)23/h2-14,16-20,28H,1,15H2.
What are the key properties of N-(4-ethenylphenyl)-N-phenyl-1,9-dihydropyren-1-amine?
N-(4-ethenylphenyl)-N-phenyl-1,9-dihydropyren-1-amine has a molecular weight of 397.52 g/mol, XLogP of 7.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethenylphenyl)-N-phenyl-1,9-dihydropyren-1-amine is sourced from PubChem (CID 89006319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).