N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-6-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-4-yl]naphthalen-1-amine

C63H42N2O — CID 171410299

IUPACN-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-6-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-4-yl]naphthalen-1-amine
SMILESc1ccc(-c2ccc(-c3nc4c(o3)c(-c3ccc5c(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)c(-c7ccccc7)c6)cccc5c3)cc3ccccc34)cc2)cc1
InChIInChI=1S/C63H42N2O/c1-5-16-43(17-6-1)45-28-30-49(31-29-45)63-64-61-57-26-14-13-24-51(57)41-59(62(61)66-63)52-34-38-56-50(40-52)25-15-27-60(56)65(53-35-32-46(33-36-53)44-18-7-2-8-19-44)54-37-39-55(47-20-9-3-10-21-47)58(42-54)48-22-11-4-12-23-48/h1-42H
InChIKeyVIQKYLLPZQSJGQ-UHFFFAOYSA-N
MW843.04 g/mol
LogP17.61
Rot. Bonds9

About N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-6-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-4-yl]naphthalen-1-amine

N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-6-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-4-yl]naphthalen-1-amine (PubChem CID 171410299) has the molecular formula C63H42N2O and a molecular weight of 843.04 g/mol. Its IUPAC name is N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-6-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-4-yl]naphthalen-1-amine.

Molecular Properties

Compound NameN-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-6-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-4-yl]naphthalen-1-amine
PubChem CID171410299
Molecular FormulaC63H42N2O
Molecular Weight843.04 g/mol
Exact Mass842.33
IUPAC NameN-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-6-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-4-yl]naphthalen-1-amine
SMILESc1ccc(-c2ccc(-c3nc4c(o3)c(-c3ccc5c(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)c(-c7ccccc7)c6)cccc5c3)cc3ccccc34)cc2)cc1
InChIInChI=1S/C63H42N2O/c1-5-16-43(17-6-1)45-28-30-49(31-29-45)63-64-61-57-26-14-13-24-51(57)41-59(62(61)66-63)52-34-38-56-50(40-52)25-15-27-60(56)65(53-35-32-46(33-36-53)44-18-7-2-8-19-44)54-37-39-55(47-20-9-3-10-21-47)58(42-54)48-22-11-4-12-23-48/h1-42H
InChIKeyVIQKYLLPZQSJGQ-UHFFFAOYSA-N
XLogP17.61
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.04
LogP ≤ 517.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-phenylbenzo[e][1,3]benzoxazol-4-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine
CID 171410533
N-naphthalen-1-yl-2,7-diphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-10-amine
CID 177112477
N-phenyl-N-[4-(5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16,18,20-decaen-14-yl)phenyl]naphthalen-1-amine
CID 176631327
N-naphthalen-1-yl-6-(2-naphthalen-2-ylbenzo[g][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 171410345
N-(4-naphthalen-1-yl-3-phenylphenyl)-3-phenyl-4-(2-phenylbenzo[g][1,3]benzoxazol-7-yl)-N-(3-phenylphenyl)aniline
CID 171410300
N-[4-(2,4-diphenyl-1,3-benzoxazol-7-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 176785571
N-[4-[4-(N-(3,4-diphenylphenyl)-4-phenylanilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 159775461
N-(3,4-diphenylphenyl)-N-(3-naphthalen-2-yl-4-phenanthren-9-ylphenyl)naphthalen-1-amine
CID 170054534
N-[4-(2-naphthalen-2-yl-1,3-benzoxazol-7-yl)phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 176785714
N,2,7-triphenyl-N-(3-phenylnaphthalen-1-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 177112501
N-(3-naphthalen-1-yl-4-phenylphenyl)-N,2-bis(4-phenylphenyl)benzo[g][1,3]benzoxazol-5-amine
CID 170425008
N-(4-naphthalen-2-yl-3-phenylphenyl)-N-(6-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-7-amine
CID 169007147

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-6-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-4-yl]naphthalen-1-amine?
The IUPAC name of N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-6-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-4-yl]naphthalen-1-amine (CID 171410299) is N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-6-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-4-yl]naphthalen-1-amine.
What is the SMILES notation for N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-6-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-4-yl]naphthalen-1-amine?
The canonical SMILES for N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-6-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-4-yl]naphthalen-1-amine is c1ccc(-c2ccc(-c3nc4c(o3)c(-c3ccc5c(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)c(-c7ccccc7)c6)cccc5c3)cc3ccccc34)cc2)cc1.
What is the InChIKey of N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-6-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-4-yl]naphthalen-1-amine?
The InChIKey is VIQKYLLPZQSJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N2O/c1-5-16-43(17-6-1)45-28-30-49(31-29-45)63-64-61-57-26-14-13-24-51(57)41-59(62(61)66-63)52-34-38-56-50(40-52)25-15-27-60(56)65(53-35-32-46(33-36-53)44-18-7-2-8-19-44)54-37-39-55(47-20-9-3-10-21-47)58(42-54)48-22-11-4-12-23-48/h1-42H.
What are the key properties of N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-6-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-4-yl]naphthalen-1-amine?
N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-6-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-4-yl]naphthalen-1-amine has a molecular weight of 843.04 g/mol, XLogP of 17.61, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-6-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-4-yl]naphthalen-1-amine is sourced from PubChem (CID 171410299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).