N-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylaniline

C42H29N — CID 89331007

IUPACN-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylaniline
SMILESc1ccc(-c2ccccc2Nc2cccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c2)cc1
InChIInChI=1S/C42H29N/c1-2-14-30(15-3-1)35-19-10-11-24-40(35)43-34-18-12-17-32(28-34)41-36-20-6-8-22-38(36)42(39-23-9-7-21-37(39)41)33-26-25-29-13-4-5-16-31(29)27-33/h1-28,43H
InChIKeyUVSVGVULYIQFAR-UHFFFAOYSA-N
MW547.70 g/mol
LogP11.89
Rot. Bonds5

About N-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylaniline

N-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylaniline (PubChem CID 89331007) has the molecular formula C42H29N and a molecular weight of 547.70 g/mol. Its IUPAC name is N-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylaniline.

Molecular Properties

Compound NameN-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylaniline
PubChem CID89331007
Molecular FormulaC42H29N
Molecular Weight547.70 g/mol
Exact Mass547.23
IUPAC NameN-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylaniline
SMILESc1ccc(-c2ccccc2Nc2cccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c2)cc1
InChIInChI=1S/C42H29N/c1-2-14-30(15-3-1)35-19-10-11-24-40(35)43-34-18-12-17-32(28-34)41-36-20-6-8-22-38(36)42(39-23-9-7-21-37(39)41)33-26-25-29-13-4-5-16-31(29)27-33/h1-28,43H
InChIKeyUVSVGVULYIQFAR-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_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 177069740
9-[4-(2,6-diphenylphenyl)phenyl]-10-naphthalen-2-ylanthracene
CID 58965768
N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 135167428
9-naphthalen-2-yl-10-(2-naphthalen-2-yl-6-phenylphenyl)anthracene
CID 171447256
1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine
CID 169027344
2-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;3-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-naphthalen-2-ylphenyl)-2-(9-phenylcarbazol-3-yl)aniline;N-(4-naphthalen-2-ylphenyl)-3-(9-phenylcarbazol-3-yl)aniline
CID 158992655
9-naphthalen-2-yl-1-phenyl-10-(4-phenylphenyl)anthracene
CID 58323204
10-naphthalen-2-yl-1-(4-phenylphenyl)anthracene
CID 173141630
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
2-naphthalen-2-yl-N-[4-[4-(2-naphthalen-1-ylanilino)phenyl]phenyl]aniline
CID 69101182
3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58988736
9-naphthalen-2-yl-10-(4-naphthalen-1-yl-3-phenylphenyl)anthracene
CID 58856517

Frequently Asked Questions

What is the IUPAC name of N-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylaniline?
The IUPAC name of N-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylaniline (CID 89331007) is N-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylaniline.
What is the SMILES notation for N-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylaniline?
The canonical SMILES for N-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylaniline is c1ccc(-c2ccccc2Nc2cccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c2)cc1.
What is the InChIKey of N-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylaniline?
The InChIKey is UVSVGVULYIQFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N/c1-2-14-30(15-3-1)35-19-10-11-24-40(35)43-34-18-12-17-32(28-34)41-36-20-6-8-22-38(36)42(39-23-9-7-21-37(39)41)33-26-25-29-13-4-5-16-31(29)27-33/h1-28,43H.
What are the key properties of N-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylaniline?
N-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylaniline 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 N-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylaniline is sourced from PubChem (CID 89331007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).