4-naphthalen-2-yl-N-[4-(2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzothiazol-8-yl)phenyl]-N-phenylaniline

C51H32N2OS — CID 167127075

IUPAC4-naphthalen-2-yl-N-[4-(2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzothiazol-8-yl)phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3cccc4c3oc3cc5nc(-c6ccc7ccccc7c6)sc5cc34)cc2)cc1
InChIInChI=1S/C51H32N2OS/c1-2-13-41(14-3-1)53(42-25-21-35(22-26-42)39-19-17-33-9-4-6-11-37(33)29-39)43-27-23-36(24-28-43)44-15-8-16-45-46-31-49-47(32-48(46)54-50(44)45)52-51(55-49)40-20-18-34-10-5-7-12-38(34)30-40/h1-32H
InChIKeyCCTYGUNWTCYSFN-UHFFFAOYSA-N
MW720.90 g/mol
LogP14.97
Rot. Bonds6

About 4-naphthalen-2-yl-N-[4-(2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzothiazol-8-yl)phenyl]-N-phenylaniline

4-naphthalen-2-yl-N-[4-(2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzothiazol-8-yl)phenyl]-N-phenylaniline (PubChem CID 167127075) has the molecular formula C51H32N2OS and a molecular weight of 720.90 g/mol. Its IUPAC name is 4-naphthalen-2-yl-N-[4-(2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzothiazol-8-yl)phenyl]-N-phenylaniline.

Molecular Properties

Compound Name4-naphthalen-2-yl-N-[4-(2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzothiazol-8-yl)phenyl]-N-phenylaniline
PubChem CID167127075
Molecular FormulaC51H32N2OS
Molecular Weight720.90 g/mol
Exact Mass720.22
IUPAC Name4-naphthalen-2-yl-N-[4-(2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzothiazol-8-yl)phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3cccc4c3oc3cc5nc(-c6ccc7ccccc7c6)sc5cc34)cc2)cc1
InChIInChI=1S/C51H32N2OS/c1-2-13-41(14-3-1)53(42-25-21-35(22-26-42)39-19-17-33-9-4-6-11-37(33)29-39)43-27-23-36(24-28-43)44-15-8-16-45-46-31-49-47(32-48(46)54-50(44)45)52-51(55-49)40-20-18-34-10-5-7-12-38(34)30-40/h1-32H
InChIKeyCCTYGUNWTCYSFN-UHFFFAOYSA-N
XLogP14.97
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.90
LogP ≤ 514.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 169302116
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168805171
4-naphthalen-1-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-8-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine
CID 167130187
4-naphthalen-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(7-phenylnaphthalen-1-yl)phenyl]aniline
CID 168804509
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 168804352
N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-8-yl)phenyl]aniline
CID 167127280
4-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 58510830
N-(4-dibenzofuran-4-ylphenyl)-N,3-bis(4-naphthalen-2-ylphenyl)aniline
CID 155374297
N,N-bis(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-8-amine
CID 167129483
4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-dinaphthalen-2-ylphenyl)phenyl]aniline
CID 88950712
N-(4-dibenzofuran-4-ylphenyl)-4-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 155374400
N-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-6-phenyldibenzofuran-3-amine
CID 169302169

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-N-[4-(2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzothiazol-8-yl)phenyl]-N-phenylaniline?
The IUPAC name of 4-naphthalen-2-yl-N-[4-(2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzothiazol-8-yl)phenyl]-N-phenylaniline (CID 167127075) is 4-naphthalen-2-yl-N-[4-(2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzothiazol-8-yl)phenyl]-N-phenylaniline.
What is the SMILES notation for 4-naphthalen-2-yl-N-[4-(2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzothiazol-8-yl)phenyl]-N-phenylaniline?
The canonical SMILES for 4-naphthalen-2-yl-N-[4-(2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzothiazol-8-yl)phenyl]-N-phenylaniline is c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3cccc4c3oc3cc5nc(-c6ccc7ccccc7c6)sc5cc34)cc2)cc1.
What is the InChIKey of 4-naphthalen-2-yl-N-[4-(2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzothiazol-8-yl)phenyl]-N-phenylaniline?
The InChIKey is CCTYGUNWTCYSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2OS/c1-2-13-41(14-3-1)53(42-25-21-35(22-26-42)39-19-17-33-9-4-6-11-37(33)29-39)43-27-23-36(24-28-43)44-15-8-16-45-46-31-49-47(32-48(46)54-50(44)45)52-51(55-49)40-20-18-34-10-5-7-12-38(34)30-40/h1-32H.
What are the key properties of 4-naphthalen-2-yl-N-[4-(2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzothiazol-8-yl)phenyl]-N-phenylaniline?
4-naphthalen-2-yl-N-[4-(2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzothiazol-8-yl)phenyl]-N-phenylaniline has a molecular weight of 720.90 g/mol, XLogP of 14.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-N-[4-(2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzothiazol-8-yl)phenyl]-N-phenylaniline is sourced from PubChem (CID 167127075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).