8-N-naphthalen-2-yl-6-N,8-N,2-triphenyl-6-N-(4-phenylphenyl)benzo[e][1,3]benzoxazole-6,8-diamine

C51H35N3O — CID 170247986

IUPAC8-N-naphthalen-2-yl-6-N,8-N,2-triphenyl-6-N-(4-phenylphenyl)benzo[e][1,3]benzoxazole-6,8-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc5ccccc5c4)cc4c3ccc3oc(-c5ccccc5)nc34)cc2)cc1
InChIInChI=1S/C51H35N3O/c1-5-15-36(16-6-1)38-25-28-43(29-26-38)54(42-23-11-4-12-24-42)48-35-45(34-47-46(48)31-32-49-50(47)52-51(55-49)39-18-7-2-8-19-39)53(41-21-9-3-10-22-41)44-30-27-37-17-13-14-20-40(37)33-44/h1-35H
InChIKeyUNOZLBMARNCWQK-UHFFFAOYSA-N
MW705.86 g/mol
LogP14.41
Rot. Bonds8

About 8-N-naphthalen-2-yl-6-N,8-N,2-triphenyl-6-N-(4-phenylphenyl)benzo[e][1,3]benzoxazole-6,8-diamine

8-N-naphthalen-2-yl-6-N,8-N,2-triphenyl-6-N-(4-phenylphenyl)benzo[e][1,3]benzoxazole-6,8-diamine (PubChem CID 170247986) has the molecular formula C51H35N3O and a molecular weight of 705.86 g/mol. Its IUPAC name is 8-N-naphthalen-2-yl-6-N,8-N,2-triphenyl-6-N-(4-phenylphenyl)benzo[e][1,3]benzoxazole-6,8-diamine.

Molecular Properties

Compound Name8-N-naphthalen-2-yl-6-N,8-N,2-triphenyl-6-N-(4-phenylphenyl)benzo[e][1,3]benzoxazole-6,8-diamine
PubChem CID170247986
Molecular FormulaC51H35N3O
Molecular Weight705.86 g/mol
Exact Mass705.28
IUPAC Name8-N-naphthalen-2-yl-6-N,8-N,2-triphenyl-6-N-(4-phenylphenyl)benzo[e][1,3]benzoxazole-6,8-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc5ccccc5c4)cc4c3ccc3oc(-c5ccccc5)nc34)cc2)cc1
InChIInChI=1S/C51H35N3O/c1-5-15-36(16-6-1)38-25-28-43(29-26-38)54(42-23-11-4-12-24-42)48-35-45(34-47-46(48)31-32-49-50(47)52-51(55-49)39-18-7-2-8-19-39)53(41-21-9-3-10-22-41)44-30-27-37-17-13-14-20-40(37)33-44/h1-35H
InChIKeyUNOZLBMARNCWQK-UHFFFAOYSA-N
XLogP14.41
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.86
LogP ≤ 514.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-3-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-7-yl]naphthalen-1-amine
CID 170424938
N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-5-amine
CID 170424937
3-naphthalen-2-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167123274
N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 167123146
N,4-diphenyl-N-[4-(2-phenylbenzo[e][1,3]benzoxazol-8-yl)phenyl]aniline
CID 170026606
N-phenanthren-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167124652
N,2,7-triphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-10-amine
CID 177112601
N,2-diphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-8-amine
CID 171724750
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-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine
CID 170395135
N-naphthalen-1-yl-2,7-diphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-10-amine
CID 177112477
N-dibenzofuran-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167124585

Frequently Asked Questions

What is the IUPAC name of 8-N-naphthalen-2-yl-6-N,8-N,2-triphenyl-6-N-(4-phenylphenyl)benzo[e][1,3]benzoxazole-6,8-diamine?
The IUPAC name of 8-N-naphthalen-2-yl-6-N,8-N,2-triphenyl-6-N-(4-phenylphenyl)benzo[e][1,3]benzoxazole-6,8-diamine (CID 170247986) is 8-N-naphthalen-2-yl-6-N,8-N,2-triphenyl-6-N-(4-phenylphenyl)benzo[e][1,3]benzoxazole-6,8-diamine.
What is the SMILES notation for 8-N-naphthalen-2-yl-6-N,8-N,2-triphenyl-6-N-(4-phenylphenyl)benzo[e][1,3]benzoxazole-6,8-diamine?
The canonical SMILES for 8-N-naphthalen-2-yl-6-N,8-N,2-triphenyl-6-N-(4-phenylphenyl)benzo[e][1,3]benzoxazole-6,8-diamine is c1ccc(-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc5ccccc5c4)cc4c3ccc3oc(-c5ccccc5)nc34)cc2)cc1.
What is the InChIKey of 8-N-naphthalen-2-yl-6-N,8-N,2-triphenyl-6-N-(4-phenylphenyl)benzo[e][1,3]benzoxazole-6,8-diamine?
The InChIKey is UNOZLBMARNCWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N3O/c1-5-15-36(16-6-1)38-25-28-43(29-26-38)54(42-23-11-4-12-24-42)48-35-45(34-47-46(48)31-32-49-50(47)52-51(55-49)39-18-7-2-8-19-39)53(41-21-9-3-10-22-41)44-30-27-37-17-13-14-20-40(37)33-44/h1-35H.
What are the key properties of 8-N-naphthalen-2-yl-6-N,8-N,2-triphenyl-6-N-(4-phenylphenyl)benzo[e][1,3]benzoxazole-6,8-diamine?
8-N-naphthalen-2-yl-6-N,8-N,2-triphenyl-6-N-(4-phenylphenyl)benzo[e][1,3]benzoxazole-6,8-diamine has a molecular weight of 705.86 g/mol, XLogP of 14.41, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-naphthalen-2-yl-6-N,8-N,2-triphenyl-6-N-(4-phenylphenyl)benzo[e][1,3]benzoxazole-6,8-diamine is sourced from PubChem (CID 170247986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).