N-dibenzothiophen-3-yl-N-(2-phenylphenyl)-2-(3-phenylphenyl)naphtho[1,2-g][1,3]benzoxazol-7-amine

C51H32N2OS — CID 174293832

IUPACN-dibenzothiophen-3-yl-N-(2-phenylphenyl)-2-(3-phenylphenyl)naphtho[1,2-g][1,3]benzoxazol-7-amine
SMILESc1ccc(-c2cccc(-c3nc4ccc5c6ccc(N(c7ccc8c(c7)sc7ccccc78)c7ccccc7-c7ccccc7)cc6ccc5c4o3)c2)cc1
InChIInChI=1S/C51H32N2OS/c1-3-12-33(13-4-1)35-16-11-17-37(30-35)51-52-46-29-28-42-40-26-23-38(31-36(40)22-25-45(42)50(46)54-51)53(47-20-9-7-18-41(47)34-14-5-2-6-15-34)39-24-27-44-43-19-8-10-21-48(43)55-49(44)32-39/h1-32H
InChIKeyISPKKVGXCQPYPK-UHFFFAOYSA-N
MW720.90 g/mol
LogP14.97
Rot. Bonds6

About N-dibenzothiophen-3-yl-N-(2-phenylphenyl)-2-(3-phenylphenyl)naphtho[1,2-g][1,3]benzoxazol-7-amine

N-dibenzothiophen-3-yl-N-(2-phenylphenyl)-2-(3-phenylphenyl)naphtho[1,2-g][1,3]benzoxazol-7-amine (PubChem CID 174293832) has the molecular formula C51H32N2OS and a molecular weight of 720.90 g/mol. Its IUPAC name is N-dibenzothiophen-3-yl-N-(2-phenylphenyl)-2-(3-phenylphenyl)naphtho[1,2-g][1,3]benzoxazol-7-amine.

Molecular Properties

Compound NameN-dibenzothiophen-3-yl-N-(2-phenylphenyl)-2-(3-phenylphenyl)naphtho[1,2-g][1,3]benzoxazol-7-amine
PubChem CID174293832
Molecular FormulaC51H32N2OS
Molecular Weight720.90 g/mol
Exact Mass720.22
IUPAC NameN-dibenzothiophen-3-yl-N-(2-phenylphenyl)-2-(3-phenylphenyl)naphtho[1,2-g][1,3]benzoxazol-7-amine
SMILESc1ccc(-c2cccc(-c3nc4ccc5c6ccc(N(c7ccc8c(c7)sc7ccccc78)c7ccccc7-c7ccccc7)cc6ccc5c4o3)c2)cc1
InChIInChI=1S/C51H32N2OS/c1-3-12-33(13-4-1)35-16-11-17-37(30-35)51-52-46-29-28-42-40-26-23-38(31-36(40)22-25-45(42)50(46)54-51)53(47-20-9-7-18-41(47)34-14-5-2-6-15-34)39-24-27-44-43-19-8-10-21-48(43)55-49(44)32-39/h1-32H
InChIKeyISPKKVGXCQPYPK-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-dibenzothiophen-3-yl-N-naphthalen-1-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 171607668
N-[4-(2-phenyl-1,3-benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 176785597
N-(4-dibenzothiophen-1-ylphenyl)-N,2-diphenylbenzo[g][1,3]benzoxazol-7-amine
CID 171410430
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-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
2-phenyl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[2,3-f][1,3]benzoxazol-7-amine
CID 171455965
9-benzo[e][1,3]benzoxazol-2-yl-N-chrysen-2-yl-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 177082399
N-dibenzofuran-2-yl-N-naphthalen-1-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-2-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzothiophen-3-yl-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;2-naphthalen-2-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 158718428
N-dibenzothiophen-4-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 176631678
N-dibenzothiophen-3-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 155473862
N-[4-(2-phenylnaphtho[1,2-g][1,3]benzoxazol-11-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-3-amine
CID 174294085
N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]dibenzothiophen-3-amine
CID 167124823

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-3-yl-N-(2-phenylphenyl)-2-(3-phenylphenyl)naphtho[1,2-g][1,3]benzoxazol-7-amine?
The IUPAC name of N-dibenzothiophen-3-yl-N-(2-phenylphenyl)-2-(3-phenylphenyl)naphtho[1,2-g][1,3]benzoxazol-7-amine (CID 174293832) is N-dibenzothiophen-3-yl-N-(2-phenylphenyl)-2-(3-phenylphenyl)naphtho[1,2-g][1,3]benzoxazol-7-amine.
What is the SMILES notation for N-dibenzothiophen-3-yl-N-(2-phenylphenyl)-2-(3-phenylphenyl)naphtho[1,2-g][1,3]benzoxazol-7-amine?
The canonical SMILES for N-dibenzothiophen-3-yl-N-(2-phenylphenyl)-2-(3-phenylphenyl)naphtho[1,2-g][1,3]benzoxazol-7-amine is c1ccc(-c2cccc(-c3nc4ccc5c6ccc(N(c7ccc8c(c7)sc7ccccc78)c7ccccc7-c7ccccc7)cc6ccc5c4o3)c2)cc1.
What is the InChIKey of N-dibenzothiophen-3-yl-N-(2-phenylphenyl)-2-(3-phenylphenyl)naphtho[1,2-g][1,3]benzoxazol-7-amine?
The InChIKey is ISPKKVGXCQPYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2OS/c1-3-12-33(13-4-1)35-16-11-17-37(30-35)51-52-46-29-28-42-40-26-23-38(31-36(40)22-25-45(42)50(46)54-51)53(47-20-9-7-18-41(47)34-14-5-2-6-15-34)39-24-27-44-43-19-8-10-21-48(43)55-49(44)32-39/h1-32H.
What are the key properties of N-dibenzothiophen-3-yl-N-(2-phenylphenyl)-2-(3-phenylphenyl)naphtho[1,2-g][1,3]benzoxazol-7-amine?
N-dibenzothiophen-3-yl-N-(2-phenylphenyl)-2-(3-phenylphenyl)naphtho[1,2-g][1,3]benzoxazol-7-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-3-yl-N-(2-phenylphenyl)-2-(3-phenylphenyl)naphtho[1,2-g][1,3]benzoxazol-7-amine is sourced from PubChem (CID 174293832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).