N,N-bis(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-8-amine

C51H32N2OS — CID 167129483

IUPACN,N-bis(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-8-amine
SMILESc1ccc(-c2nc3cc4c(cc3s2)oc2c(N(c3ccc(-c5cccc6ccccc56)cc3)c3ccc(-c5cccc6ccccc56)cc3)cccc24)cc1
InChIInChI=1S/C51H32N2OS/c1-2-13-37(14-3-1)51-52-46-31-45-44-21-10-22-47(50(44)54-48(45)32-49(46)55-51)53(38-27-23-35(24-28-38)42-19-8-15-33-11-4-6-17-40(33)42)39-29-25-36(26-30-39)43-20-9-16-34-12-5-7-18-41(34)43/h1-32H
InChIKeyWGTAQICTPZKHSA-UHFFFAOYSA-N
MW720.90 g/mol
LogP14.97
Rot. Bonds6

About N,N-bis(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-8-amine

N,N-bis(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-8-amine (PubChem CID 167129483) has the molecular formula C51H32N2OS and a molecular weight of 720.90 g/mol. Its IUPAC name is N,N-bis(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-8-amine.

Molecular Properties

Compound NameN,N-bis(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-8-amine
PubChem CID167129483
Molecular FormulaC51H32N2OS
Molecular Weight720.90 g/mol
Exact Mass720.22
IUPAC NameN,N-bis(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-8-amine
SMILESc1ccc(-c2nc3cc4c(cc3s2)oc2c(N(c3ccc(-c5cccc6ccccc56)cc3)c3ccc(-c5cccc6ccccc56)cc3)cccc24)cc1
InChIInChI=1S/C51H32N2OS/c1-2-13-37(14-3-1)51-52-46-31-45-44-21-10-22-47(50(44)54-48(45)32-49(46)55-51)53(38-27-23-35(24-28-38)42-19-8-15-33-11-4-6-17-40(33)42)39-29-25-36(26-30-39)43-20-9-16-34-12-5-7-18-41(34)43/h1-32H
InChIKeyWGTAQICTPZKHSA-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

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
N-(4-naphthalen-1-ylnaphthalen-1-yl)-2-phenyl-N-(2-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzothiazol-8-amine
CID 167127986
N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine
CID 167123381
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
N-(2-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-8-amine
CID 167127217
N-(4-naphthalen-1-ylphenyl)-2-naphtho[2,3-b][1]benzofuran-4-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 174275617
N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-yl)phenyl]aniline
CID 167123156
N,2-diphenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-7-yl)-N-(4-phenylphenyl)aniline
CID 167127386
11,11-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)fluoreno[3,2-b][1]benzofuran-4-amine
CID 134393027
[4-(4-naphthalen-1-yl-N-naphtho[2,3-b][1]benzofuran-4-ylanilino)phenyl]boronic acid
CID 176616764
N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 172503187
2-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 126709649

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-8-amine?
The IUPAC name of N,N-bis(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-8-amine (CID 167129483) is N,N-bis(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-8-amine.
What is the SMILES notation for N,N-bis(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-8-amine?
The canonical SMILES for N,N-bis(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-8-amine is c1ccc(-c2nc3cc4c(cc3s2)oc2c(N(c3ccc(-c5cccc6ccccc56)cc3)c3ccc(-c5cccc6ccccc56)cc3)cccc24)cc1.
What is the InChIKey of N,N-bis(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-8-amine?
The InChIKey is WGTAQICTPZKHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2OS/c1-2-13-37(14-3-1)51-52-46-31-45-44-21-10-22-47(50(44)54-48(45)32-49(46)55-51)53(38-27-23-35(24-28-38)42-19-8-15-33-11-4-6-17-40(33)42)39-29-25-36(26-30-39)43-20-9-16-34-12-5-7-18-41(34)43/h1-32H.
What are the key properties of N,N-bis(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-8-amine?
N,N-bis(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-8-amine 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 N,N-bis(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-8-amine is sourced from PubChem (CID 167129483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).