9-benzo[g][1,3]benzoxazol-2-yl-N-naphtho[1,2-b][1]benzothiol-9-yl-N-(2-phenylphenyl)dibenzofuran-3-amine

C51H30N2O2S — CID 177081238

IUPAC9-benzo[g][1,3]benzoxazol-2-yl-N-naphtho[1,2-b][1]benzothiol-9-yl-N-(2-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(c2)oc2cccc(-c4nc5ccc6ccccc6c5o4)c23)c2ccc3c(c2)sc2c4ccccc4ccc32)cc1
InChIInChI=1S/C51H30N2O2S/c1-2-11-31(12-3-1)36-15-8-9-19-44(36)53(35-23-26-39-40-25-21-33-14-5-7-17-38(33)50(40)56-47(39)30-35)34-24-27-41-46(29-34)54-45-20-10-18-42(48(41)45)51-52-43-28-22-32-13-4-6-16-37(32)49(43)55-51/h1-30H
InChIKeyXLQDLOSLSRGSCP-UHFFFAOYSA-N
MW734.88 g/mol
LogP15.21
Rot. Bonds5

About 9-benzo[g][1,3]benzoxazol-2-yl-N-naphtho[1,2-b][1]benzothiol-9-yl-N-(2-phenylphenyl)dibenzofuran-3-amine

9-benzo[g][1,3]benzoxazol-2-yl-N-naphtho[1,2-b][1]benzothiol-9-yl-N-(2-phenylphenyl)dibenzofuran-3-amine (PubChem CID 177081238) has the molecular formula C51H30N2O2S and a molecular weight of 734.88 g/mol. Its IUPAC name is 9-benzo[g][1,3]benzoxazol-2-yl-N-naphtho[1,2-b][1]benzothiol-9-yl-N-(2-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound Name9-benzo[g][1,3]benzoxazol-2-yl-N-naphtho[1,2-b][1]benzothiol-9-yl-N-(2-phenylphenyl)dibenzofuran-3-amine
PubChem CID177081238
Molecular FormulaC51H30N2O2S
Molecular Weight734.88 g/mol
Exact Mass734.20
IUPAC Name9-benzo[g][1,3]benzoxazol-2-yl-N-naphtho[1,2-b][1]benzothiol-9-yl-N-(2-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(c2)oc2cccc(-c4nc5ccc6ccccc6c5o4)c23)c2ccc3c(c2)sc2c4ccccc4ccc32)cc1
InChIInChI=1S/C51H30N2O2S/c1-2-11-31(12-3-1)36-15-8-9-19-44(36)53(35-23-26-39-40-25-21-33-14-5-7-17-38(33)50(40)56-47(39)30-35)34-24-27-41-46(29-34)54-45-20-10-18-42(48(41)45)51-52-43-28-22-32-13-4-6-16-37(32)49(43)55-51/h1-30H
InChIKeyXLQDLOSLSRGSCP-UHFFFAOYSA-N
XLogP15.21
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.88
LogP ≤ 515.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-benzo[g][1,3]benzoxazol-2-yl-N-dibenzofuran-1-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 177082016
9-(1,3-benzoxazol-2-yl)-N-dibenzothiophen-3-yl-N-naphthalen-1-yldibenzofuran-3-amine
CID 177081610
9-benzo[g][1,3]benzoxazol-2-yl-N-naphtho[2,3-b][1]benzothiol-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 177082149
9-benzo[g][1,3]benzoxazol-2-yl-N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 177081895
9-benzo[g][1,3]benzoxazol-2-yl-N-chrysen-4-yl-N-naphthalen-2-yldibenzofuran-3-amine
CID 177081260
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 177082020
9-benzo[f][1,3]benzoxazol-2-yl-N-naphtho[2,3-b][1]benzothiol-4-yl-N-phenyldibenzofuran-3-amine
CID 177082084
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(2-phenylphenyl)dibenzothiophen-4-amine
CID 167331011
9-benzo[e][1,3]benzoxazol-2-yl-N-chrysen-1-yl-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 177081499
9-benzo[g][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-naphtho[2,1-b][1]benzothiol-10-yldibenzofuran-3-amine
CID 177082460
N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 167330637
N-dibenzothiophen-3-yl-N-(2-phenylphenyl)-2-(3-phenylphenyl)naphtho[1,2-g][1,3]benzoxazol-7-amine
CID 174293832

Frequently Asked Questions

What is the IUPAC name of 9-benzo[g][1,3]benzoxazol-2-yl-N-naphtho[1,2-b][1]benzothiol-9-yl-N-(2-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of 9-benzo[g][1,3]benzoxazol-2-yl-N-naphtho[1,2-b][1]benzothiol-9-yl-N-(2-phenylphenyl)dibenzofuran-3-amine (CID 177081238) is 9-benzo[g][1,3]benzoxazol-2-yl-N-naphtho[1,2-b][1]benzothiol-9-yl-N-(2-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for 9-benzo[g][1,3]benzoxazol-2-yl-N-naphtho[1,2-b][1]benzothiol-9-yl-N-(2-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for 9-benzo[g][1,3]benzoxazol-2-yl-N-naphtho[1,2-b][1]benzothiol-9-yl-N-(2-phenylphenyl)dibenzofuran-3-amine is c1ccc(-c2ccccc2N(c2ccc3c(c2)oc2cccc(-c4nc5ccc6ccccc6c5o4)c23)c2ccc3c(c2)sc2c4ccccc4ccc32)cc1.
What is the InChIKey of 9-benzo[g][1,3]benzoxazol-2-yl-N-naphtho[1,2-b][1]benzothiol-9-yl-N-(2-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is XLQDLOSLSRGSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N2O2S/c1-2-11-31(12-3-1)36-15-8-9-19-44(36)53(35-23-26-39-40-25-21-33-14-5-7-17-38(33)50(40)56-47(39)30-35)34-24-27-41-46(29-34)54-45-20-10-18-42(48(41)45)51-52-43-28-22-32-13-4-6-16-37(32)49(43)55-51/h1-30H.
What are the key properties of 9-benzo[g][1,3]benzoxazol-2-yl-N-naphtho[1,2-b][1]benzothiol-9-yl-N-(2-phenylphenyl)dibenzofuran-3-amine?
9-benzo[g][1,3]benzoxazol-2-yl-N-naphtho[1,2-b][1]benzothiol-9-yl-N-(2-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 734.88 g/mol, XLogP of 15.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzo[g][1,3]benzoxazol-2-yl-N-naphtho[1,2-b][1]benzothiol-9-yl-N-(2-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 177081238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).