N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine

C48H33N — CID 166742019

IUPACN-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4cc5ccccc5c5ccccc45)cc3)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C48H33N/c1-2-12-34(13-3-1)36-22-27-40(28-23-36)49(42-31-24-35-14-4-5-15-38(35)32-42)41-29-25-37(26-30-41)43-17-8-9-20-46(43)48-33-39-16-6-7-18-44(39)45-19-10-11-21-47(45)48/h1-33H
InChIKeyBLWQQUJXULYOCE-UHFFFAOYSA-N
MW623.80 g/mol
LogP13.62
Rot. Bonds6

About N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine

N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine (PubChem CID 166742019) has the molecular formula C48H33N and a molecular weight of 623.80 g/mol. Its IUPAC name is N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
PubChem CID166742019
Molecular FormulaC48H33N
Molecular Weight623.80 g/mol
Exact Mass623.26
IUPAC NameN-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4cc5ccccc5c5ccccc45)cc3)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C48H33N/c1-2-12-34(13-3-1)36-22-27-40(28-23-36)49(42-31-24-35-14-4-5-15-38(35)32-42)41-29-25-37(26-30-41)43-17-8-9-20-46(43)48-33-39-16-6-7-18-44(39)45-19-10-11-21-47(45)48/h1-33H
InChIKeyBLWQQUJXULYOCE-UHFFFAOYSA-N
XLogP13.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.80
LogP ≤ 513.62
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

4-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenanthren-9-ylphenyl)phenyl]aniline
CID 163468369
N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]naphthalen-2-amine
CID 166956443
N-[2-phenanthren-9-yl-3-(2-phenylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 177274846
N-(4-phenanthren-9-ylphenyl)-3-phenyl-4-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 167264768
3-phenanthren-9-yl-N,N,4-tris(4-phenylphenyl)aniline
CID 170054845
N,N-dinaphthalen-2-yl-2-phenyl-4-(2-phenylphenyl)naphthalen-1-amine;4-phenanthren-9-yl-N-phenyl-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine
CID 163598182
N-[4-(2,5-diphenylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)phenanthren-2-amine
CID 167297488
N-(4-naphthalen-1-ylphenyl)-3,4-di(phenanthren-9-yl)-N-(4-phenylphenyl)aniline
CID 170054592
N-[4-(4-naphthalen-2-yl-3-phenylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-phenylaniline
CID 167003685
N,N-bis(4-phenylphenyl)chrysen-2-amine
CID 164748030
N-[4-(4-phenanthren-9-yl-3-phenylphenyl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 167003698
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 172501733

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The IUPAC name of N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine (CID 166742019) is N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The canonical SMILES for N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4cc5ccccc5c5ccccc45)cc3)c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The InChIKey is BLWQQUJXULYOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N/c1-2-12-34(13-3-1)36-22-27-40(28-23-36)49(42-31-24-35-14-4-5-15-38(35)32-42)41-29-25-37(26-30-41)43-17-8-9-20-46(43)48-33-39-16-6-7-18-44(39)45-19-10-11-21-47(45)48/h1-33H.
What are the key properties of N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine has a molecular weight of 623.80 g/mol, XLogP of 13.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 166742019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).