1,1'-biphenyl;4-naphthalen-2-yl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline

C52H37NS — CID 142405945

IUPAC1,1'-biphenyl;4-naphthalen-2-yl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline
SMILESc1ccc(-c2cc3c(cc2-c2ccc(Nc4ccc(-c5ccc6ccccc6c5)cc4)cc2)sc2ccccc23)cc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C40H27NS.C12H10/c1-2-9-29(10-3-1)36-25-38-35-12-6-7-13-39(35)42-40(38)26-37(36)30-18-22-34(23-19-30)41-33-20-16-28(17-21-33)32-15-14-27-8-4-5-11-31(27)24-32;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-26,41H;1-10H
InChIKeyOAUGJHHNSGBEQD-UHFFFAOYSA-N
MW707.94 g/mol
LogP15.31
Rot. Bonds6

About 1,1'-biphenyl;4-naphthalen-2-yl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline

1,1'-biphenyl;4-naphthalen-2-yl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline (PubChem CID 142405945) has the molecular formula C52H37NS and a molecular weight of 707.94 g/mol. Its IUPAC name is 1,1'-biphenyl;4-naphthalen-2-yl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline.

Molecular Properties

Compound Name1,1'-biphenyl;4-naphthalen-2-yl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline
PubChem CID142405945
Molecular FormulaC52H37NS
Molecular Weight707.94 g/mol
Exact Mass707.26
IUPAC Name1,1'-biphenyl;4-naphthalen-2-yl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline
SMILESc1ccc(-c2cc3c(cc2-c2ccc(Nc4ccc(-c5ccc6ccccc6c5)cc4)cc2)sc2ccccc23)cc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C40H27NS.C12H10/c1-2-9-29(10-3-1)36-25-38-35-12-6-7-13-39(35)42-40(38)26-37(36)30-18-22-34(23-19-30)41-33-20-16-28(17-21-33)32-15-14-27-8-4-5-11-31(27)24-32;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-26,41H;1-10H
InChIKeyOAUGJHHNSGBEQD-UHFFFAOYSA-N
XLogP15.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.94
LogP ≤ 515.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1'-biphenyl;4-naphthalen-2-yl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline with MolForge

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Related Compounds

N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 135277605
N-(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N-(3-phenylphenyl)dibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 164973575
N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 177113837
3-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 166769727
4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 135277463
N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-1-amine
CID 177113902
N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 118640861
2,8-bis(3-naphthalen-2-yl-5-phenylphenyl)dibenzothiophene
CID 58971382
N-(3,5-diphenylphenyl)dibenzothiophen-1-amine;N-(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N-(6-phenylnaphthalen-2-yl)dibenzothiophen-2-amine;N-(3-phenylphenyl)dibenzothiophen-2-amine
CID 158916839
N-(4-naphthalen-2-ylphenyl)-3-phenyl-4-(3-phenylphenyl)aniline
CID 166769723
2-dibenzothiophen-3-yl-4-(3-naphthalen-2-ylphenyl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845041
N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline
CID 135277607

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;4-naphthalen-2-yl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline?
The IUPAC name of 1,1'-biphenyl;4-naphthalen-2-yl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline (CID 142405945) is 1,1'-biphenyl;4-naphthalen-2-yl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline.
What is the SMILES notation for 1,1'-biphenyl;4-naphthalen-2-yl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline?
The canonical SMILES for 1,1'-biphenyl;4-naphthalen-2-yl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline is c1ccc(-c2cc3c(cc2-c2ccc(Nc4ccc(-c5ccc6ccccc6c5)cc4)cc2)sc2ccccc23)cc1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;4-naphthalen-2-yl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline?
The InChIKey is OAUGJHHNSGBEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27NS.C12H10/c1-2-9-29(10-3-1)36-25-38-35-12-6-7-13-39(35)42-40(38)26-37(36)30-18-22-34(23-19-30)41-33-20-16-28(17-21-33)32-15-14-27-8-4-5-11-31(27)24-32;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-26,41H;1-10H.
What are the key properties of 1,1'-biphenyl;4-naphthalen-2-yl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline?
1,1'-biphenyl;4-naphthalen-2-yl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline has a molecular weight of 707.94 g/mol, XLogP of 15.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;4-naphthalen-2-yl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline is sourced from PubChem (CID 142405945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).