2-phenanthren-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]aniline

C42H29N — CID 168764813

IUPAC2-phenanthren-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(Nc4ccccc4-c4cccc5c4ccc4ccccc45)cc3)c3ccccc23)cc1
InChIInChI=1S/C42H29N/c1-2-11-29(12-3-1)34-27-28-35(37-16-7-6-15-36(34)37)31-21-24-32(25-22-31)43-42-20-9-8-17-41(42)39-19-10-18-38-33-14-5-4-13-30(33)23-26-40(38)39/h1-28,43H
InChIKeyLVDJPMKRGYIWTM-UHFFFAOYSA-N
MW547.70 g/mol
LogP11.89
Rot. Bonds5

About 2-phenanthren-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]aniline

2-phenanthren-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]aniline (PubChem CID 168764813) has the molecular formula C42H29N and a molecular weight of 547.70 g/mol. Its IUPAC name is 2-phenanthren-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]aniline.

Molecular Properties

Compound Name2-phenanthren-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]aniline
PubChem CID168764813
Molecular FormulaC42H29N
Molecular Weight547.70 g/mol
Exact Mass547.23
IUPAC Name2-phenanthren-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(Nc4ccccc4-c4cccc5c4ccc4ccccc45)cc3)c3ccccc23)cc1
InChIInChI=1S/C42H29N/c1-2-11-29(12-3-1)34-27-28-35(37-16-7-6-15-36(34)37)31-21-24-32(25-22-31)43-42-20-9-8-17-41(42)39-19-10-18-38-33-14-5-4-13-30(33)23-26-40(38)39/h1-28,43H
InChIKeyLVDJPMKRGYIWTM-UHFFFAOYSA-N
XLogP11.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.70
LogP ≤ 511.89
H-Bond Donors ≤ 51
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-[2-(4-naphthalen-1-ylanilino)phenyl]-N-(4-phenylphenyl)aniline
CID 139322198
N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59029878
3-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 175774490
N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine
CID 134359527
2-naphthalen-2-yl-N-[4-[4-(2-naphthalen-1-ylanilino)phenyl]phenyl]aniline
CID 69101182
5-naphthalen-1-yl-N,2-diphenylaniline
CID 175302178
2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 126709673
N-[4-[4-(naphthalen-1-ylamino)-2-phenylphenyl]-3-phenylphenyl]naphthalen-1-amine
CID 22134300
N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 177069740
4-N-[2-[4-(phenanthren-9-ylamino)phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 130250792
N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 58672315
9-phenanthren-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 58194514

Frequently Asked Questions

What is the IUPAC name of 2-phenanthren-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]aniline?
The IUPAC name of 2-phenanthren-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]aniline (CID 168764813) is 2-phenanthren-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]aniline.
What is the SMILES notation for 2-phenanthren-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]aniline?
The canonical SMILES for 2-phenanthren-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(Nc4ccccc4-c4cccc5c4ccc4ccccc45)cc3)c3ccccc23)cc1.
What is the InChIKey of 2-phenanthren-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]aniline?
The InChIKey is LVDJPMKRGYIWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N/c1-2-11-29(12-3-1)34-27-28-35(37-16-7-6-15-36(34)37)31-21-24-32(25-22-31)43-42-20-9-8-17-41(42)39-19-10-18-38-33-14-5-4-13-30(33)23-26-40(38)39/h1-28,43H.
What are the key properties of 2-phenanthren-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]aniline?
2-phenanthren-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]aniline has a molecular weight of 547.70 g/mol, XLogP of 11.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenanthren-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]aniline is sourced from PubChem (CID 168764813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).