N,N-bis(4-pyridin-2-ylphenyl)phenanthren-3-amine

C36H25N3 — CID 118122927

IUPACN,N-bis(4-pyridin-2-ylphenyl)phenanthren-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccn4)cc3)c3ccc4ccc5ccccc5c4c3)cc2)nc1
InChIInChI=1S/C36H25N3/c1-2-8-33-26(7-1)11-12-27-13-22-32(25-34(27)33)39(30-18-14-28(15-19-30)35-9-3-5-23-37-35)31-20-16-29(17-21-31)36-10-4-6-24-38-36/h1-25H
InChIKeyPEJXKEMERWARED-UHFFFAOYSA-N
MW499.62 g/mol
LogP9.59
Rot. Bonds5

About N,N-bis(4-pyridin-2-ylphenyl)phenanthren-3-amine

N,N-bis(4-pyridin-2-ylphenyl)phenanthren-3-amine (PubChem CID 118122927) has the molecular formula C36H25N3 and a molecular weight of 499.62 g/mol. Its IUPAC name is N,N-bis(4-pyridin-2-ylphenyl)phenanthren-3-amine.

Molecular Properties

Compound NameN,N-bis(4-pyridin-2-ylphenyl)phenanthren-3-amine
PubChem CID118122927
Molecular FormulaC36H25N3
Molecular Weight499.62 g/mol
Exact Mass499.20
IUPAC NameN,N-bis(4-pyridin-2-ylphenyl)phenanthren-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccn4)cc3)c3ccc4ccc5ccccc5c4c3)cc2)nc1
InChIInChI=1S/C36H25N3/c1-2-8-33-26(7-1)11-12-27-13-22-32(25-34(27)33)39(30-18-14-28(15-19-30)35-9-3-5-23-37-35)31-20-16-29(17-21-31)36-10-4-6-24-38-36/h1-25H
InChIKeyPEJXKEMERWARED-UHFFFAOYSA-N
XLogP9.59
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.62
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-phenanthren-2-yl-N-(4-phenylphenyl)chrysen-3-amine
CID 170135801
7-naphthalen-2-yl-N,N-bis[4-(4,7-phenanthrolin-3-yl)phenyl]phenanthren-2-amine
CID 170404497
3-N,3-N,6-N,6-N-tetraphenyl-9-[4-(4-pyridin-2-ylphenyl)phenyl]carbazole-3,6-diamine
CID 130354274
N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)chrysen-3-amine
CID 164747948
N-phenyl-4-(6-pyridin-2-yl-2-pyridinyl)-N-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]aniline
CID 122435802
N-(3,4-diphenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-3-amine
CID 177080967
2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 118487428
N-(3,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-3-amine
CID 177081043
ethane;4-fluoranthen-3-yl-N-(4-fluoranthen-3-ylphenyl)-N-(4-pyridin-2-ylphenyl)aniline
CID 144605037
4-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)-N-(4-pyridin-2-ylphenyl)anilino]benzonitrile
CID 90336207
N,N-bis(4-phenylphenyl)chrysen-2-amine
CID 164748030
N-(4-chrysen-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 170135838

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-pyridin-2-ylphenyl)phenanthren-3-amine?
The IUPAC name of N,N-bis(4-pyridin-2-ylphenyl)phenanthren-3-amine (CID 118122927) is N,N-bis(4-pyridin-2-ylphenyl)phenanthren-3-amine.
What is the SMILES notation for N,N-bis(4-pyridin-2-ylphenyl)phenanthren-3-amine?
The canonical SMILES for N,N-bis(4-pyridin-2-ylphenyl)phenanthren-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccn4)cc3)c3ccc4ccc5ccccc5c4c3)cc2)nc1.
What is the InChIKey of N,N-bis(4-pyridin-2-ylphenyl)phenanthren-3-amine?
The InChIKey is PEJXKEMERWARED-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N3/c1-2-8-33-26(7-1)11-12-27-13-22-32(25-34(27)33)39(30-18-14-28(15-19-30)35-9-3-5-23-37-35)31-20-16-29(17-21-31)36-10-4-6-24-38-36/h1-25H.
What are the key properties of N,N-bis(4-pyridin-2-ylphenyl)phenanthren-3-amine?
N,N-bis(4-pyridin-2-ylphenyl)phenanthren-3-amine has a molecular weight of 499.62 g/mol, XLogP of 9.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-pyridin-2-ylphenyl)phenanthren-3-amine is sourced from PubChem (CID 118122927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).