N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]aniline

C53H34N2O2 — CID 167129713

IUPACN-(4-naphthalen-2-ylphenyl)-2-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]aniline
SMILESc1ccc(-c2nc3cc4c(cc3o2)oc2ccc(-c3ccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccccc5-c5ccccc5)cc3)cc24)cc1
InChIInChI=1S/C53H34N2O2/c1-3-12-38(13-4-1)45-17-9-10-18-49(45)55(43-26-21-36(22-27-43)41-20-19-35-11-7-8-16-40(35)31-41)44-28-23-37(24-29-44)42-25-30-50-46(32-42)47-33-48-52(34-51(47)56-50)57-53(54-48)39-14-5-2-6-15-39/h1-34H
InChIKeyCXDHXJNTRKUDBT-UHFFFAOYSA-N
MW730.87 g/mol
LogP15.02
Rot. Bonds7

About N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]aniline

N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]aniline (PubChem CID 167129713) has the molecular formula C53H34N2O2 and a molecular weight of 730.87 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-2-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]aniline
PubChem CID167129713
Molecular FormulaC53H34N2O2
Molecular Weight730.87 g/mol
Exact Mass730.26
IUPAC NameN-(4-naphthalen-2-ylphenyl)-2-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]aniline
SMILESc1ccc(-c2nc3cc4c(cc3o2)oc2ccc(-c3ccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccccc5-c5ccccc5)cc3)cc24)cc1
InChIInChI=1S/C53H34N2O2/c1-3-12-38(13-4-1)45-17-9-10-18-49(45)55(43-26-21-36(22-27-43)41-20-19-35-11-7-8-16-40(35)31-41)44-28-23-37(24-29-44)42-25-30-50-46(32-42)47-33-48-52(34-51(47)56-50)57-53(54-48)39-14-5-2-6-15-39/h1-34H
InChIKeyCXDHXJNTRKUDBT-UHFFFAOYSA-N
XLogP15.02
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.87
LogP ≤ 515.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167127101
2-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-f][1,3]benzoxazol-6-amine
CID 167128133
N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline
CID 167127227
9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]fluoren-3-amine
CID 167128874
3-naphthalen-2-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167130080
N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-8-yl)phenyl]aniline
CID 167127280
N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 167127103
N-(2-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-8-amine
CID 167128220
N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-6-yl)phenyl]naphthalen-2-amine
CID 167128270
2-naphthalen-1-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 170776701
N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(2-phenylphenyl)phenanthren-3-amine
CID 167129332
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]fluoren-4-amine
CID 167128721

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]aniline?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]aniline (CID 167129713) is N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]aniline.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]aniline?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]aniline is c1ccc(-c2nc3cc4c(cc3o2)oc2ccc(-c3ccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccccc5-c5ccccc5)cc3)cc24)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]aniline?
The InChIKey is CXDHXJNTRKUDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2O2/c1-3-12-38(13-4-1)45-17-9-10-18-49(45)55(43-26-21-36(22-27-43)41-20-19-35-11-7-8-16-40(35)31-41)44-28-23-37(24-29-44)42-25-30-50-46(32-42)47-33-48-52(34-51(47)56-50)57-53(54-48)39-14-5-2-6-15-39/h1-34H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]aniline?
N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]aniline has a molecular weight of 730.87 g/mol, XLogP of 15.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]aniline is sourced from PubChem (CID 167129713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).