5-methyl-N-(10-phenanthren-9-ylanthracen-9-yl)-N-phenylpyridin-2-amine

C40H28N2 — CID 59390845

IUPAC5-methyl-N-(10-phenanthren-9-ylanthracen-9-yl)-N-phenylpyridin-2-amine
SMILESCc1ccc(N(c2ccccc2)c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccccc23)nc1
InChIInChI=1S/C40H28N2/c1-27-23-24-38(41-26-27)42(29-14-3-2-4-15-29)40-35-21-11-9-19-33(35)39(34-20-10-12-22-36(34)40)37-25-28-13-5-6-16-30(28)31-17-7-8-18-32(31)37/h2-26H,1H3
InChIKeyOVPBVDFDPVFHMY-UHFFFAOYSA-N
MW536.68 g/mol
LogP11.14
Rot. Bonds4

About 5-methyl-N-(10-phenanthren-9-ylanthracen-9-yl)-N-phenylpyridin-2-amine

5-methyl-N-(10-phenanthren-9-ylanthracen-9-yl)-N-phenylpyridin-2-amine (PubChem CID 59390845) has the molecular formula C40H28N2 and a molecular weight of 536.68 g/mol. Its IUPAC name is 5-methyl-N-(10-phenanthren-9-ylanthracen-9-yl)-N-phenylpyridin-2-amine.

Molecular Properties

Compound Name5-methyl-N-(10-phenanthren-9-ylanthracen-9-yl)-N-phenylpyridin-2-amine
PubChem CID59390845
Molecular FormulaC40H28N2
Molecular Weight536.68 g/mol
Exact Mass536.23
IUPAC Name5-methyl-N-(10-phenanthren-9-ylanthracen-9-yl)-N-phenylpyridin-2-amine
SMILESCc1ccc(N(c2ccccc2)c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccccc23)nc1
InChIInChI=1S/C40H28N2/c1-27-23-24-38(41-26-27)42(29-14-3-2-4-15-29)40-35-21-11-9-19-33(35)39(34-20-10-12-22-36(34)40)37-25-28-13-5-6-16-30(28)31-17-7-8-18-32(31)37/h2-26H,1H3
InChIKeyOVPBVDFDPVFHMY-UHFFFAOYSA-N
XLogP11.14
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.68
LogP ≤ 511.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-N-phenyl-N-(10-phenylanthracen-9-yl)pyridin-2-amine
CID 59390787
5-N,5-N,11-N-tris(4-methylphenyl)-11-N-phenyltetracene-5,11-diamine
CID 59987799
9-N,10-N-di(phenanthren-9-yl)-9-N,10-N-diphenylanthracene-9,10-diamine
CID 20665524
9-N,10-N-di(anthracen-9-yl)-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine
CID 58612532
2-N,6-N-dinaphthalen-2-yl-9,10-di(phenanthren-9-yl)-2-N,6-N-diphenylanthracene-2,6-diamine
CID 88869094
9-phenanthren-9-yl-10-[4-(10-phenanthren-9-ylanthracen-9-yl)naphthalen-1-yl]anthracene
CID 59858844
10,10-dimethyl-14-N,18-N-bis(4-methylphenyl)-21-N-(5-methyl-2-pyridinyl)-21-N-phenyl-14-N,18-N-dipyridin-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-14,18,21-triamine
CID 88555608
N-phenanthren-9-yl-N-[10-(2-phenylphenyl)anthracen-9-yl]pyridin-2-amine
CID 59390708
9-N,10-N-di(anthracen-9-yl)-2,3,6-trimethyl-9-N,10-N-diphenylanthracene-9,10-diamine
CID 59372255
2-N,7-N-dinaphthalen-2-yl-5-phenanthren-9-yl-2-N,7-N,10-triphenylbenzo[g]quinoline-2,7-diamine
CID 89061988
9-phenanthren-9-yl-10-phenylanthracene
CID 59592440
5-N,5-N,11-N,11-N-tetrakis(4-methylphenyl)tetracene-5,11-diamine
CID 20730668

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(10-phenanthren-9-ylanthracen-9-yl)-N-phenylpyridin-2-amine?
The IUPAC name of 5-methyl-N-(10-phenanthren-9-ylanthracen-9-yl)-N-phenylpyridin-2-amine (CID 59390845) is 5-methyl-N-(10-phenanthren-9-ylanthracen-9-yl)-N-phenylpyridin-2-amine.
What is the SMILES notation for 5-methyl-N-(10-phenanthren-9-ylanthracen-9-yl)-N-phenylpyridin-2-amine?
The canonical SMILES for 5-methyl-N-(10-phenanthren-9-ylanthracen-9-yl)-N-phenylpyridin-2-amine is Cc1ccc(N(c2ccccc2)c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccccc23)nc1.
What is the InChIKey of 5-methyl-N-(10-phenanthren-9-ylanthracen-9-yl)-N-phenylpyridin-2-amine?
The InChIKey is OVPBVDFDPVFHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N2/c1-27-23-24-38(41-26-27)42(29-14-3-2-4-15-29)40-35-21-11-9-19-33(35)39(34-20-10-12-22-36(34)40)37-25-28-13-5-6-16-30(28)31-17-7-8-18-32(31)37/h2-26H,1H3.
What are the key properties of 5-methyl-N-(10-phenanthren-9-ylanthracen-9-yl)-N-phenylpyridin-2-amine?
5-methyl-N-(10-phenanthren-9-ylanthracen-9-yl)-N-phenylpyridin-2-amine has a molecular weight of 536.68 g/mol, XLogP of 11.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(10-phenanthren-9-ylanthracen-9-yl)-N-phenylpyridin-2-amine is sourced from PubChem (CID 59390845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).