(Z)-prop-1-en-1-amine;3-[8-(4-pyridin-3-ylphenyl)pyren-1-yl]pyridine

C35H27N3 — CID 144553772

IUPAC(Z)-prop-1-en-1-amine;3-[8-(4-pyridin-3-ylphenyl)pyren-1-yl]pyridine
SMILESC/C=C\N.c1cncc(-c2ccc(-c3ccc4ccc5ccc(-c6cccnc6)c6ccc3c4c56)cc2)c1
InChIInChI=1S/C32H20N2.C3H7N/c1-3-25(19-33-17-1)21-5-7-22(8-6-21)27-13-11-23-9-10-24-12-14-28(26-4-2-18-34-20-26)30-16-15-29(27)31(23)32(24)30;1-2-3-4/h1-20H;2-3H,4H2,1H3/b;3-2-
InChIKeyJGUNXKFWQDWREI-AHNKWOMYSA-N
MW489.62 g/mol
LogP8.85
Rot. Bonds3

About (Z)-prop-1-en-1-amine;3-[8-(4-pyridin-3-ylphenyl)pyren-1-yl]pyridine

(Z)-prop-1-en-1-amine;3-[8-(4-pyridin-3-ylphenyl)pyren-1-yl]pyridine (PubChem CID 144553772) has the molecular formula C35H27N3 and a molecular weight of 489.62 g/mol. Its IUPAC name is (Z)-prop-1-en-1-amine;3-[8-(4-pyridin-3-ylphenyl)pyren-1-yl]pyridine.

Molecular Properties

Compound Name(Z)-prop-1-en-1-amine;3-[8-(4-pyridin-3-ylphenyl)pyren-1-yl]pyridine
PubChem CID144553772
Molecular FormulaC35H27N3
Molecular Weight489.62 g/mol
Exact Mass489.22
IUPAC Name(Z)-prop-1-en-1-amine;3-[8-(4-pyridin-3-ylphenyl)pyren-1-yl]pyridine
SMILESC/C=C\N.c1cncc(-c2ccc(-c3ccc4ccc5ccc(-c6cccnc6)c6ccc3c4c56)cc2)c1
InChIInChI=1S/C32H20N2.C3H7N/c1-3-25(19-33-17-1)21-5-7-22(8-6-21)27-13-11-23-9-10-24-12-14-28(26-4-2-18-34-20-26)30-16-15-29(27)31(23)32(24)30;1-2-3-4/h1-20H;2-3H,4H2,1H3/b;3-2-
InChIKeyJGUNXKFWQDWREI-AHNKWOMYSA-N
XLogP8.85
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.62
LogP ≤ 58.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-pyren-1-ylpyridine
CID 58924967
9-[4-[6-(4-pyridin-3-ylphenyl)pyren-1-yl]phenyl]carbazole
CID 58273614
(Z)-hex-3-ene;N-methylethanimine;2-[4-(8-pyridin-3-ylpyren-1-yl)phenyl]pyridine
CID 144553838
4-(4-phenylphenyl)-6-(4-pyren-1-ylphenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 130263014
3-phenanthren-1-ylpyridine;2-[4-[4-(6-pyridin-3-ylpyren-1-yl)phenyl]phenyl]pyridine
CID 144553841
4-phenyl-6-(4-pyren-1-ylphenyl)-2-(5-pyridin-3-ylnaphthalen-1-yl)pyrimidine
CID 130263623
2-(4-naphthalen-1-ylphenyl)-4-(4-pyren-1-ylphenyl)-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130264883
3-[3,6,8-tris(4-methylphenyl)pyren-1-yl]pyridine
CID 58924986
2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 165168483
2-[3-(6-phenylpyren-1-yl)phenyl]-4-pyridin-3-yl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 118314046
ethanimine;N-ethenylmethanimine;(3Z)-penta-1,3-diene;pyridine;3-[3-pyridin-3-yl-5-[6-(3-pyridin-4-ylphenyl)pyren-1-yl]phenyl]pyridine
CID 144553809
3-[4-[4-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]naphthalen-1-yl]phenyl]pyridine
CID 167411426

Frequently Asked Questions

What is the IUPAC name of (Z)-prop-1-en-1-amine;3-[8-(4-pyridin-3-ylphenyl)pyren-1-yl]pyridine?
The IUPAC name of (Z)-prop-1-en-1-amine;3-[8-(4-pyridin-3-ylphenyl)pyren-1-yl]pyridine (CID 144553772) is (Z)-prop-1-en-1-amine;3-[8-(4-pyridin-3-ylphenyl)pyren-1-yl]pyridine.
What is the SMILES notation for (Z)-prop-1-en-1-amine;3-[8-(4-pyridin-3-ylphenyl)pyren-1-yl]pyridine?
The canonical SMILES for (Z)-prop-1-en-1-amine;3-[8-(4-pyridin-3-ylphenyl)pyren-1-yl]pyridine is C/C=C\N.c1cncc(-c2ccc(-c3ccc4ccc5ccc(-c6cccnc6)c6ccc3c4c56)cc2)c1.
What is the InChIKey of (Z)-prop-1-en-1-amine;3-[8-(4-pyridin-3-ylphenyl)pyren-1-yl]pyridine?
The InChIKey is JGUNXKFWQDWREI-AHNKWOMYSA-N. The full InChI is InChI=1S/C32H20N2.C3H7N/c1-3-25(19-33-17-1)21-5-7-22(8-6-21)27-13-11-23-9-10-24-12-14-28(26-4-2-18-34-20-26)30-16-15-29(27)31(23)32(24)30;1-2-3-4/h1-20H;2-3H,4H2,1H3/b;3-2-.
What are the key properties of (Z)-prop-1-en-1-amine;3-[8-(4-pyridin-3-ylphenyl)pyren-1-yl]pyridine?
(Z)-prop-1-en-1-amine;3-[8-(4-pyridin-3-ylphenyl)pyren-1-yl]pyridine has a molecular weight of 489.62 g/mol, XLogP of 8.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-prop-1-en-1-amine;3-[8-(4-pyridin-3-ylphenyl)pyren-1-yl]pyridine is sourced from PubChem (CID 144553772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).