3-(1,3-benzoxazol-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-4-amine

C41H26N2OS — CID 171754411

IUPAC3-(1,3-benzoxazol-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3c(-c4nc5ccccc5o4)ccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C41H26N2OS/c1-2-10-27(11-3-1)29-18-21-31(22-19-29)43(32-23-20-28-12-4-5-13-30(28)26-32)39-35(41-42-36-15-7-8-16-37(36)44-41)25-24-34-33-14-6-9-17-38(33)45-40(34)39/h1-26H
InChIKeyFVJSVKHFZPBSNP-UHFFFAOYSA-N
MW594.74 g/mol
LogP12.15
Rot. Bonds5

About 3-(1,3-benzoxazol-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-4-amine

3-(1,3-benzoxazol-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-4-amine (PubChem CID 171754411) has the molecular formula C41H26N2OS and a molecular weight of 594.74 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-4-amine.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-4-amine
PubChem CID171754411
Molecular FormulaC41H26N2OS
Molecular Weight594.74 g/mol
Exact Mass594.18
IUPAC Name3-(1,3-benzoxazol-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3c(-c4nc5ccccc5o4)ccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C41H26N2OS/c1-2-10-27(11-3-1)29-18-21-31(22-19-29)43(32-23-20-28-12-4-5-13-30(28)26-32)39-35(41-42-36-15-7-8-16-37(36)44-41)25-24-34-33-14-6-9-17-38(33)45-40(34)39/h1-26H
InChIKeyFVJSVKHFZPBSNP-UHFFFAOYSA-N
XLogP12.15
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.74
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-yl-3-phenyldibenzothiophen-4-amine
CID 171435403
9-(1,3-benzoxazol-2-yl)-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-8-amine
CID 171755218
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(3-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine
CID 171435473
N-[4-[7-(1,3-benzoxazol-2-yl)naphtho[1,2-b][1]benzothiol-4-yl]phenyl]-N,4-diphenylaniline
CID 175613332
N-(3-phenyldibenzothiophen-4-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 171435219
9-(1,3-benzoxazol-2-yl)-N-dibenzothiophen-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 177081805
N-(4-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-phenyldibenzothiophen-4-amine
CID 171435299
N-[4-[4-[4-(1,3-benzoxazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-amine;N-[4-[4-[4-[4-(1,3-benzoxazol-2-yl)-N-naphthalen-2-ylanilino]phenyl]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine;4-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[4-(N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 159976801
N-(4-dibenzofuran-2-ylphenyl)-N,3-diphenyldibenzothiophen-4-amine
CID 171434947
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]phenanthren-2-amine
CID 155402825
N-dibenzothiophen-4-yl-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzothiophen-4-amine
CID 171435177
N-[4-(4-anthracen-2-ylphenyl)phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]naphthalen-2-amine
CID 165150218

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-4-amine?
The IUPAC name of 3-(1,3-benzoxazol-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-4-amine (CID 171754411) is 3-(1,3-benzoxazol-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-4-amine.
What is the SMILES notation for 3-(1,3-benzoxazol-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-4-amine?
The canonical SMILES for 3-(1,3-benzoxazol-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-4-amine is c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3c(-c4nc5ccccc5o4)ccc4c3sc3ccccc34)cc2)cc1.
What is the InChIKey of 3-(1,3-benzoxazol-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-4-amine?
The InChIKey is FVJSVKHFZPBSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2OS/c1-2-10-27(11-3-1)29-18-21-31(22-19-29)43(32-23-20-28-12-4-5-13-30(28)26-32)39-35(41-42-36-15-7-8-16-37(36)44-41)25-24-34-33-14-6-9-17-38(33)45-40(34)39/h1-26H.
What are the key properties of 3-(1,3-benzoxazol-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-4-amine?
3-(1,3-benzoxazol-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-4-amine has a molecular weight of 594.74 g/mol, XLogP of 12.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-4-amine is sourced from PubChem (CID 171754411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).