(Z)-N-[[6-(4-fluorophenyl)-2-pyridinyl]-phenanthren-9-ylmethyl]hept-3-en-4-amine

C33H31FN2 — CID 142140466

IUPAC(Z)-N-[[6-(4-fluorophenyl)-2-pyridinyl]-phenanthren-9-ylmethyl]hept-3-en-4-amine
SMILESCC/C=C(/CCC)NC(c1cccc(-c2ccc(F)cc2)n1)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C33H31FN2/c1-3-10-26(11-4-2)35-33(32-17-9-16-31(36-32)23-18-20-25(34)21-19-23)30-22-24-12-5-6-13-27(24)28-14-7-8-15-29(28)30/h5-10,12-22,33,35H,3-4,11H2,1-2H3/b26-10-
InChIKeyHRGGCZNHSIIUHG-KALUYTGESA-N
MW474.62 g/mol
LogP8.97
Rot. Bonds8

About (Z)-N-[[6-(4-fluorophenyl)-2-pyridinyl]-phenanthren-9-ylmethyl]hept-3-en-4-amine

(Z)-N-[[6-(4-fluorophenyl)-2-pyridinyl]-phenanthren-9-ylmethyl]hept-3-en-4-amine (PubChem CID 142140466) has the molecular formula C33H31FN2 and a molecular weight of 474.62 g/mol. Its IUPAC name is (Z)-N-[[6-(4-fluorophenyl)-2-pyridinyl]-phenanthren-9-ylmethyl]hept-3-en-4-amine.

Molecular Properties

Compound Name(Z)-N-[[6-(4-fluorophenyl)-2-pyridinyl]-phenanthren-9-ylmethyl]hept-3-en-4-amine
PubChem CID142140466
Molecular FormulaC33H31FN2
Molecular Weight474.62 g/mol
Exact Mass474.25
IUPAC Name(Z)-N-[[6-(4-fluorophenyl)-2-pyridinyl]-phenanthren-9-ylmethyl]hept-3-en-4-amine
SMILESCC/C=C(/CCC)NC(c1cccc(-c2ccc(F)cc2)n1)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C33H31FN2/c1-3-10-26(11-4-2)35-33(32-17-9-16-31(36-32)23-18-20-25(34)21-19-23)30-22-24-12-5-6-13-27(24)28-14-7-8-15-29(28)30/h5-10,12-22,33,35H,3-4,11H2,1-2H3/b26-10-
InChIKeyHRGGCZNHSIIUHG-KALUYTGESA-N
XLogP8.97
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.62
LogP ≤ 58.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[phenanthren-9-yl-(6-phenyl-2-pyridinyl)methyl]azanium
CID 142145189
2,6-diethyl-N-[[6-(4-fluorophenyl)-2-pyridinyl]-phenanthren-9-ylmethyl]aniline;N-[[6-(2,6-difluorophenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[[6-(3,5-dimethylphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline;2-methyl-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-6-propan-2-ylaniline
CID 158623688
N-[anthracen-9-yl-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-diethylaniline;2,6-diethyl-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]aniline;2,6-diethyl-N-[phenanthren-9-yl-(6-phenyl-2-pyridinyl)methyl]aniline;N-[[6-(4-methoxyphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[[6-(2-methylphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline
CID 159661438
3-ethenyl-4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine
CID 19867626
2,4-bis(4-fluorophenyl)-6-[4-(4-phenanthren-9-ylphenyl)phenyl]-1,3,5-triazine
CID 159255421
(1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxybutan-2-one
CID 121354458
(2S)-2-[[6-(4-fluorophenyl)pyridine-2-carbonyl]amino]butanoic acid
CID 170211571
N-[(6-phenyl-2-pyridinyl)-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline
CID 59760636
[anthracen-9-yl-(6-phenyl-2-pyridinyl)methyl]-(2,6-diethylphenyl)azanide;(2,6-diethylphenyl)-[[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]azanide;decakis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]-phenylmethyl]azanide;bis([2,6-di(propan-2-yl)phenyl]-[phenyl-(6-phenyl-2-pyridinyl)methyl]azanide);hafnium;zirconium(3+)
CID 161245645
(1S)-1-phenanthren-9-ylbutan-1-amine
CID 171232433
carbanide;(2,6-dipropylphenyl)-[[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]azanide;hafnium
CID 58231876
4-(4-fluorophenyl)-3-[(E)-3-methylbut-1-enyl]-6-phenyl-2-propan-2-ylpyridine
CID 142622578

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[[6-(4-fluorophenyl)-2-pyridinyl]-phenanthren-9-ylmethyl]hept-3-en-4-amine?
The IUPAC name of (Z)-N-[[6-(4-fluorophenyl)-2-pyridinyl]-phenanthren-9-ylmethyl]hept-3-en-4-amine (CID 142140466) is (Z)-N-[[6-(4-fluorophenyl)-2-pyridinyl]-phenanthren-9-ylmethyl]hept-3-en-4-amine.
What is the SMILES notation for (Z)-N-[[6-(4-fluorophenyl)-2-pyridinyl]-phenanthren-9-ylmethyl]hept-3-en-4-amine?
The canonical SMILES for (Z)-N-[[6-(4-fluorophenyl)-2-pyridinyl]-phenanthren-9-ylmethyl]hept-3-en-4-amine is CC/C=C(/CCC)NC(c1cccc(-c2ccc(F)cc2)n1)c1cc2ccccc2c2ccccc12.
What is the InChIKey of (Z)-N-[[6-(4-fluorophenyl)-2-pyridinyl]-phenanthren-9-ylmethyl]hept-3-en-4-amine?
The InChIKey is HRGGCZNHSIIUHG-KALUYTGESA-N. The full InChI is InChI=1S/C33H31FN2/c1-3-10-26(11-4-2)35-33(32-17-9-16-31(36-32)23-18-20-25(34)21-19-23)30-22-24-12-5-6-13-27(24)28-14-7-8-15-29(28)30/h5-10,12-22,33,35H,3-4,11H2,1-2H3/b26-10-.
What are the key properties of (Z)-N-[[6-(4-fluorophenyl)-2-pyridinyl]-phenanthren-9-ylmethyl]hept-3-en-4-amine?
(Z)-N-[[6-(4-fluorophenyl)-2-pyridinyl]-phenanthren-9-ylmethyl]hept-3-en-4-amine has a molecular weight of 474.62 g/mol, XLogP of 8.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[[6-(4-fluorophenyl)-2-pyridinyl]-phenanthren-9-ylmethyl]hept-3-en-4-amine is sourced from PubChem (CID 142140466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).