N-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-2-amine

C44H29N — CID 170136248

IUPACN-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-2-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(ccc5c6ccccc6ccc45)c3)c3ccc4ccc5ccccc5c4c3)c2)cc1
InChIInChI=1S/C44H29N/c1-2-9-30(10-3-1)34-13-8-14-36(27-34)45(38-22-19-33-18-17-31-11-5-7-16-40(31)44(33)29-38)37-23-26-41-35(28-37)21-25-42-39-15-6-4-12-32(39)20-24-43(41)42/h1-29H
InChIKeyQRJXUARQIFJQQU-UHFFFAOYSA-N
MW571.72 g/mol
LogP12.59
Rot. Bonds4

About N-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-2-amine

N-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-2-amine (PubChem CID 170136248) has the molecular formula C44H29N and a molecular weight of 571.72 g/mol. Its IUPAC name is N-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-2-amine.

Molecular Properties

Compound NameN-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-2-amine
PubChem CID170136248
Molecular FormulaC44H29N
Molecular Weight571.72 g/mol
Exact Mass571.23
IUPAC NameN-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-2-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(ccc5c6ccccc6ccc45)c3)c3ccc4ccc5ccccc5c4c3)c2)cc1
InChIInChI=1S/C44H29N/c1-2-9-30(10-3-1)34-13-8-14-36(27-34)45(38-22-19-33-18-17-31-11-5-7-16-40(31)44(33)29-38)37-23-26-41-35(28-37)21-25-42-39-15-6-4-12-32(39)20-24-43(41)42/h1-29H
InChIKeyQRJXUARQIFJQQU-UHFFFAOYSA-N
XLogP12.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.72
LogP ≤ 512.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-N,9-N-diphenyl-2-N,9-N-bis(3-phenylphenyl)chrysene-2,9-diamine
CID 170410338
N-phenanthren-2-yl-N-(4-phenylphenyl)chrysen-3-amine
CID 170135801
N,N-bis(3-phenanthren-2-ylphenyl)-3-phenylaniline
CID 135299449
N,N-bis(4-phenylphenyl)chrysen-2-amine
CID 164748030
N-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-6-amine
CID 170135539
1-N,9-N-diphenyl-1-N,9-N-bis(3-phenylphenyl)chrysene-1,9-diamine
CID 170410736
N-(3-chrysen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenylaniline
CID 170141257
N-(3,4-diphenylphenyl)-N-(3-phenylphenyl)phenanthren-3-amine
CID 177081123
N-chrysen-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 170137527
N-chrysen-3-yl-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 170137135
3-phenanthren-3-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 142614449
N-(3-naphthalen-2-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062788

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-2-amine?
The IUPAC name of N-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-2-amine (CID 170136248) is N-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-2-amine.
What is the SMILES notation for N-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-2-amine?
The canonical SMILES for N-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-2-amine is c1ccc(-c2cccc(N(c3ccc4c(ccc5c6ccccc6ccc45)c3)c3ccc4ccc5ccccc5c4c3)c2)cc1.
What is the InChIKey of N-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-2-amine?
The InChIKey is QRJXUARQIFJQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N/c1-2-9-30(10-3-1)34-13-8-14-36(27-34)45(38-22-19-33-18-17-31-11-5-7-16-40(31)44(33)29-38)37-23-26-41-35(28-37)21-25-42-39-15-6-4-12-32(39)20-24-43(41)42/h1-29H.
What are the key properties of N-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-2-amine?
N-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-2-amine has a molecular weight of 571.72 g/mol, XLogP of 12.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-2-amine is sourced from PubChem (CID 170136248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).