N-dibenzothiophen-2-yl-2-phenyl-N-(3-phenylphenyl)naphtho[2,1-e][1,3]benzoxazol-10-amine

C45H28N2OS — CID 174293841

IUPACN-dibenzothiophen-2-yl-2-phenyl-N-(3-phenylphenyl)naphtho[2,1-e][1,3]benzoxazol-10-amine
SMILESc1ccc(-c2cccc(N(c3ccc4sc5ccccc5c4c3)c3cc4oc(-c5ccccc5)nc4c4ccc5ccccc5c34)c2)cc1
InChIInChI=1S/C45H28N2OS/c1-3-12-29(13-4-1)32-17-11-18-33(26-32)47(34-23-25-42-38(27-34)36-20-9-10-21-41(36)49-42)39-28-40-44(46-45(48-40)31-15-5-2-6-16-31)37-24-22-30-14-7-8-19-35(30)43(37)39/h1-28H
InChIKeyGYLXCNBFUZJYQE-UHFFFAOYSA-N
MW644.80 g/mol
LogP13.31
Rot. Bonds5

About N-dibenzothiophen-2-yl-2-phenyl-N-(3-phenylphenyl)naphtho[2,1-e][1,3]benzoxazol-10-amine

N-dibenzothiophen-2-yl-2-phenyl-N-(3-phenylphenyl)naphtho[2,1-e][1,3]benzoxazol-10-amine (PubChem CID 174293841) has the molecular formula C45H28N2OS and a molecular weight of 644.80 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-2-phenyl-N-(3-phenylphenyl)naphtho[2,1-e][1,3]benzoxazol-10-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-2-phenyl-N-(3-phenylphenyl)naphtho[2,1-e][1,3]benzoxazol-10-amine
PubChem CID174293841
Molecular FormulaC45H28N2OS
Molecular Weight644.80 g/mol
Exact Mass644.19
IUPAC NameN-dibenzothiophen-2-yl-2-phenyl-N-(3-phenylphenyl)naphtho[2,1-e][1,3]benzoxazol-10-amine
SMILESc1ccc(-c2cccc(N(c3ccc4sc5ccccc5c4c3)c3cc4oc(-c5ccccc5)nc4c4ccc5ccccc5c34)c2)cc1
InChIInChI=1S/C45H28N2OS/c1-3-12-29(13-4-1)32-17-11-18-33(26-32)47(34-23-25-42-38(27-34)36-20-9-10-21-41(36)49-42)39-28-40-44(46-45(48-40)31-15-5-2-6-16-31)37-24-22-30-14-7-8-19-35(30)43(37)39/h1-28H
InChIKeyGYLXCNBFUZJYQE-UHFFFAOYSA-N
XLogP13.31
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.80
LogP ≤ 513.31
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-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-5-amine
CID 170424937
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-2-amine
CID 167182893
N-[3-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 177100484
N-dibenzothiophen-2-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzothiolo[3,2-f][1,3]benzoxazol-5-amine
CID 171455608
N-(4-benzo[c]phenanthren-2-ylphenyl)-3-dibenzothiophen-2-yl-N-phenylaniline
CID 167183579
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739447
N-(3-dibenzothiophen-2-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-9-amine
CID 174324049
N-dibenzothiophen-3-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzothiolo[2,3-f][1,3]benzoxazol-7-amine
CID 171456458
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738155
N-(3-dibenzothiophen-2-ylphenyl)-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-17-amine
CID 176631441
N-dibenzothiophen-3-yl-N-naphthalen-1-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 171607668
N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)phenyl]dibenzothiophen-2-amine
CID 171455633

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-2-phenyl-N-(3-phenylphenyl)naphtho[2,1-e][1,3]benzoxazol-10-amine?
The IUPAC name of N-dibenzothiophen-2-yl-2-phenyl-N-(3-phenylphenyl)naphtho[2,1-e][1,3]benzoxazol-10-amine (CID 174293841) is N-dibenzothiophen-2-yl-2-phenyl-N-(3-phenylphenyl)naphtho[2,1-e][1,3]benzoxazol-10-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-2-phenyl-N-(3-phenylphenyl)naphtho[2,1-e][1,3]benzoxazol-10-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-2-phenyl-N-(3-phenylphenyl)naphtho[2,1-e][1,3]benzoxazol-10-amine is c1ccc(-c2cccc(N(c3ccc4sc5ccccc5c4c3)c3cc4oc(-c5ccccc5)nc4c4ccc5ccccc5c34)c2)cc1.
What is the InChIKey of N-dibenzothiophen-2-yl-2-phenyl-N-(3-phenylphenyl)naphtho[2,1-e][1,3]benzoxazol-10-amine?
The InChIKey is GYLXCNBFUZJYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N2OS/c1-3-12-29(13-4-1)32-17-11-18-33(26-32)47(34-23-25-42-38(27-34)36-20-9-10-21-41(36)49-42)39-28-40-44(46-45(48-40)31-15-5-2-6-16-31)37-24-22-30-14-7-8-19-35(30)43(37)39/h1-28H.
What are the key properties of N-dibenzothiophen-2-yl-2-phenyl-N-(3-phenylphenyl)naphtho[2,1-e][1,3]benzoxazol-10-amine?
N-dibenzothiophen-2-yl-2-phenyl-N-(3-phenylphenyl)naphtho[2,1-e][1,3]benzoxazol-10-amine has a molecular weight of 644.80 g/mol, XLogP of 13.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-2-phenyl-N-(3-phenylphenyl)naphtho[2,1-e][1,3]benzoxazol-10-amine is sourced from PubChem (CID 174293841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).