N-dibenzothiophen-2-yl-N-(3,4-diphenylphenyl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine

C51H32N2OS — CID 176851461

IUPACN-dibenzothiophen-2-yl-N-(3,4-diphenylphenyl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
SMILESc1ccc(-c2nc3ccc4ccc5ccc(N(c6ccc(-c7ccccc7)c(-c7ccccc7)c6)c6ccc7sc8ccccc8c7c6)cc5c4c3o2)cc1
InChIInChI=1S/C51H32N2OS/c1-4-12-33(13-5-1)41-27-25-39(30-43(41)34-14-6-2-7-15-34)53(40-26-29-48-45(32-40)42-18-10-11-19-47(42)55-48)38-24-22-35-20-21-36-23-28-46-50(49(36)44(35)31-38)54-51(52-46)37-16-8-3-9-17-37/h1-32H
InChIKeyAIPQRENTRAUSHB-UHFFFAOYSA-N
MW720.90 g/mol
LogP14.97
Rot. Bonds6

About N-dibenzothiophen-2-yl-N-(3,4-diphenylphenyl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine

N-dibenzothiophen-2-yl-N-(3,4-diphenylphenyl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine (PubChem CID 176851461) has the molecular formula C51H32N2OS and a molecular weight of 720.90 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-N-(3,4-diphenylphenyl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-N-(3,4-diphenylphenyl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
PubChem CID176851461
Molecular FormulaC51H32N2OS
Molecular Weight720.90 g/mol
Exact Mass720.22
IUPAC NameN-dibenzothiophen-2-yl-N-(3,4-diphenylphenyl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
SMILESc1ccc(-c2nc3ccc4ccc5ccc(N(c6ccc(-c7ccccc7)c(-c7ccccc7)c6)c6ccc7sc8ccccc8c7c6)cc5c4c3o2)cc1
InChIInChI=1S/C51H32N2OS/c1-4-12-33(13-5-1)41-27-25-39(30-43(41)34-14-6-2-7-15-34)53(40-26-29-48-45(32-40)42-18-10-11-19-47(42)55-48)38-24-22-35-20-21-36-23-28-46-50(49(36)44(35)31-38)54-51(52-46)37-16-8-3-9-17-37/h1-32H
InChIKeyAIPQRENTRAUSHB-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 162702037
N-dibenzothiophen-3-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 155473862
7-N,7-N-diphenyl-2-N-[3-(N-phenylanilino)phenyl]-2-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)dibenzothiophene-2,7-diamine
CID 171417030
N-dibenzothiophen-3-yl-N-naphthalen-1-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 171607668
N-(3-dibenzothiophen-2-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-9-amine
CID 174324049
N-dibenzothiophen-2-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
CID 167125302
N-(4-dibenzofuran-3-yl-3-phenylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 177119511
1-N,1-N,3-N,5-N,5-N-pentakis-phenyl-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)benzene-1,3,5-triamine
CID 171417112
N-dibenzothiophen-2-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-yl)phenyl]dibenzothiophen-2-amine
CID 170395497
N-dibenzofuran-1-yl-2-phenyl-N-(2-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzothiophen-2-yl-2-phenyl-N-(2-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;2-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-9-amine
CID 161492434
N-dibenzothiophen-3-yl-5-phenyl-N-(4-phenylphenyl)-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaen-18-amine
CID 176631395
N-dibenzothiophen-2-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]dibenzothiophen-3-amine
CID 167123703

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-N-(3,4-diphenylphenyl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine?
The IUPAC name of N-dibenzothiophen-2-yl-N-(3,4-diphenylphenyl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine (CID 176851461) is N-dibenzothiophen-2-yl-N-(3,4-diphenylphenyl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-N-(3,4-diphenylphenyl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-N-(3,4-diphenylphenyl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine is c1ccc(-c2nc3ccc4ccc5ccc(N(c6ccc(-c7ccccc7)c(-c7ccccc7)c6)c6ccc7sc8ccccc8c7c6)cc5c4c3o2)cc1.
What is the InChIKey of N-dibenzothiophen-2-yl-N-(3,4-diphenylphenyl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine?
The InChIKey is AIPQRENTRAUSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2OS/c1-4-12-33(13-5-1)41-27-25-39(30-43(41)34-14-6-2-7-15-34)53(40-26-29-48-45(32-40)42-18-10-11-19-47(42)55-48)38-24-22-35-20-21-36-23-28-46-50(49(36)44(35)31-38)54-51(52-46)37-16-8-3-9-17-37/h1-32H.
What are the key properties of N-dibenzothiophen-2-yl-N-(3,4-diphenylphenyl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine?
N-dibenzothiophen-2-yl-N-(3,4-diphenylphenyl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-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-dibenzothiophen-2-yl-N-(3,4-diphenylphenyl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine is sourced from PubChem (CID 176851461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).