(1-ethenylphenanthren-2-yl)-phenylmethanamine

C23H19N — CID 144681255

IUPAC(1-ethenylphenanthren-2-yl)-phenylmethanamine
SMILESC=Cc1c(C(N)c2ccccc2)ccc2c1ccc1ccccc12
InChIInChI=1S/C23H19N/c1-2-18-20-13-12-16-8-6-7-11-19(16)21(20)14-15-22(18)23(24)17-9-4-3-5-10-17/h2-15,23H,1,24H2
InChIKeyWOAKVYOLGHHJQZ-UHFFFAOYSA-N
MW309.41 g/mol
LogP5.68
Rot. Bonds3

About (1-ethenylphenanthren-2-yl)-phenylmethanamine

(1-ethenylphenanthren-2-yl)-phenylmethanamine (PubChem CID 144681255) has the molecular formula C23H19N and a molecular weight of 309.41 g/mol. Its IUPAC name is (1-ethenylphenanthren-2-yl)-phenylmethanamine.

Molecular Properties

Compound Name(1-ethenylphenanthren-2-yl)-phenylmethanamine
PubChem CID144681255
Molecular FormulaC23H19N
Molecular Weight309.41 g/mol
Exact Mass309.15
IUPAC Name(1-ethenylphenanthren-2-yl)-phenylmethanamine
SMILESC=Cc1c(C(N)c2ccccc2)ccc2c1ccc1ccccc12
InChIInChI=1S/C23H19N/c1-2-18-20-13-12-16-8-6-7-11-19(16)21(20)14-15-22(18)23(24)17-9-4-3-5-10-17/h2-15,23H,1,24H2
InChIKeyWOAKVYOLGHHJQZ-UHFFFAOYSA-N
XLogP5.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.41
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-ethenyl-2-methylphenanthrene
CID 18927842
ethene;picene
CID 175286520
chrysene;iron
CID 157379031
1,2-bis(ethenyl)-9-[6-(6-phenanthren-3-ylnaphthalen-2-yl)naphthalen-2-yl]chrysene
CID 144673774
7-[amino(phenyl)methyl]quinolin-8-amine
CID 174698736
1-[(R)-amino(phenyl)methyl]naphthalen-2-ol
CID 6935961
N'-[(E)-3-benzo[a]anthracen-12-yl-1-phenanthren-9-ylprop-2-enyl]-1-phenylmethanediamine
CID 167249929
2-[(R)-amino-(4-methylphenyl)methyl]naphthalen-1-ol
CID 39345482
(4-chloronaphthalen-1-yl)-phenylmethanamine
CID 79597515
1-ethenylpicene
CID 174294618
4-[amino(naphthalen-1-yl)methyl]aniline
CID 116936837
9,10-bis(ethenyl)-6-(3-phenanthren-9-ylphenyl)-2-phenylphenanthrene
CID 143742613

Frequently Asked Questions

What is the IUPAC name of (1-ethenylphenanthren-2-yl)-phenylmethanamine?
The IUPAC name of (1-ethenylphenanthren-2-yl)-phenylmethanamine (CID 144681255) is (1-ethenylphenanthren-2-yl)-phenylmethanamine.
What is the SMILES notation for (1-ethenylphenanthren-2-yl)-phenylmethanamine?
The canonical SMILES for (1-ethenylphenanthren-2-yl)-phenylmethanamine is C=Cc1c(C(N)c2ccccc2)ccc2c1ccc1ccccc12.
What is the InChIKey of (1-ethenylphenanthren-2-yl)-phenylmethanamine?
The InChIKey is WOAKVYOLGHHJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N/c1-2-18-20-13-12-16-8-6-7-11-19(16)21(20)14-15-22(18)23(24)17-9-4-3-5-10-17/h2-15,23H,1,24H2.
What are the key properties of (1-ethenylphenanthren-2-yl)-phenylmethanamine?
(1-ethenylphenanthren-2-yl)-phenylmethanamine has a molecular weight of 309.41 g/mol, XLogP of 5.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethenylphenanthren-2-yl)-phenylmethanamine is sourced from PubChem (CID 144681255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).