3-naphthalen-2-yl-4-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-10-yl)phenyl]-N-(3-phenylphenyl)aniline

C59H38N2OS — CID 167128162

IUPAC3-naphthalen-2-yl-4-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-10-yl)phenyl]-N-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(N(c3ccc(-c4c5oc6ccccc6c5cc5nc(-c6ccccc6)sc45)cc3)c3ccc(-c4ccccc4)c(-c4ccc5ccccc5c4)c3)c2)cc1
InChIInChI=1S/C59H38N2OS/c1-4-15-39(16-5-1)45-23-14-24-48(36-45)61(49-33-34-50(41-18-6-2-7-19-41)52(37-49)46-28-27-40-17-10-11-22-44(40)35-46)47-31-29-42(30-32-47)56-57-53(51-25-12-13-26-55(51)62-57)38-54-58(56)63-59(60-54)43-20-8-3-9-21-43/h1-38H
InChIKeyJVRNYGWMJMQXDF-UHFFFAOYSA-N
MW823.03 g/mol
LogP17.15
Rot. Bonds8

About 3-naphthalen-2-yl-4-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-10-yl)phenyl]-N-(3-phenylphenyl)aniline

3-naphthalen-2-yl-4-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-10-yl)phenyl]-N-(3-phenylphenyl)aniline (PubChem CID 167128162) has the molecular formula C59H38N2OS and a molecular weight of 823.03 g/mol. Its IUPAC name is 3-naphthalen-2-yl-4-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-10-yl)phenyl]-N-(3-phenylphenyl)aniline.

Molecular Properties

Compound Name3-naphthalen-2-yl-4-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-10-yl)phenyl]-N-(3-phenylphenyl)aniline
PubChem CID167128162
Molecular FormulaC59H38N2OS
Molecular Weight823.03 g/mol
Exact Mass822.27
IUPAC Name3-naphthalen-2-yl-4-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-10-yl)phenyl]-N-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(N(c3ccc(-c4c5oc6ccccc6c5cc5nc(-c6ccccc6)sc45)cc3)c3ccc(-c4ccccc4)c(-c4ccc5ccccc5c4)c3)c2)cc1
InChIInChI=1S/C59H38N2OS/c1-4-15-39(16-5-1)45-23-14-24-48(36-45)61(49-33-34-50(41-18-6-2-7-19-41)52(37-49)46-28-27-40-17-10-11-22-44(40)35-46)47-31-29-42(30-32-47)56-57-53(51-25-12-13-26-55(51)62-57)38-54-58(56)63-59(60-54)43-20-8-3-9-21-43/h1-38H
InChIKeyJVRNYGWMJMQXDF-UHFFFAOYSA-N
XLogP17.15
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.03
LogP ≤ 517.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-naphthalen-2-yl-3-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167123546
9,9-dimethyl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-10-yl)phenyl]fluoren-3-amine
CID 167128151
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[3-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 168790758
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 155374301
3-dibenzofuran-2-yl-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 170535101
N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 167128306
N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine
CID 167125349
N-(4-dibenzofuran-4-ylphenyl)-N,3-bis(4-naphthalen-2-ylphenyl)aniline
CID 155374297
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 167358323
4-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 167128431
N-(4-naphthalen-2-ylphenyl)-3,4-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168804464
N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-3-phenylaniline
CID 170030961

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-4-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-10-yl)phenyl]-N-(3-phenylphenyl)aniline?
The IUPAC name of 3-naphthalen-2-yl-4-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-10-yl)phenyl]-N-(3-phenylphenyl)aniline (CID 167128162) is 3-naphthalen-2-yl-4-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-10-yl)phenyl]-N-(3-phenylphenyl)aniline.
What is the SMILES notation for 3-naphthalen-2-yl-4-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-10-yl)phenyl]-N-(3-phenylphenyl)aniline?
The canonical SMILES for 3-naphthalen-2-yl-4-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-10-yl)phenyl]-N-(3-phenylphenyl)aniline is c1ccc(-c2cccc(N(c3ccc(-c4c5oc6ccccc6c5cc5nc(-c6ccccc6)sc45)cc3)c3ccc(-c4ccccc4)c(-c4ccc5ccccc5c4)c3)c2)cc1.
What is the InChIKey of 3-naphthalen-2-yl-4-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-10-yl)phenyl]-N-(3-phenylphenyl)aniline?
The InChIKey is JVRNYGWMJMQXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N2OS/c1-4-15-39(16-5-1)45-23-14-24-48(36-45)61(49-33-34-50(41-18-6-2-7-19-41)52(37-49)46-28-27-40-17-10-11-22-44(40)35-46)47-31-29-42(30-32-47)56-57-53(51-25-12-13-26-55(51)62-57)38-54-58(56)63-59(60-54)43-20-8-3-9-21-43/h1-38H.
What are the key properties of 3-naphthalen-2-yl-4-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-10-yl)phenyl]-N-(3-phenylphenyl)aniline?
3-naphthalen-2-yl-4-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-10-yl)phenyl]-N-(3-phenylphenyl)aniline has a molecular weight of 823.03 g/mol, XLogP of 17.15, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-4-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-10-yl)phenyl]-N-(3-phenylphenyl)aniline is sourced from PubChem (CID 167128162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).