N,4-diphenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline

C46H31NO — CID 167402762

IUPACN,4-diphenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc5c6cccc(-c7ccccc7)c6oc5c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C46H31NO/c1-4-13-32(14-5-1)33-23-27-37(28-24-33)47(36-17-8-3-9-18-36)38-29-25-35(26-30-38)43-31-44-42-22-12-21-39(34-15-6-2-7-16-34)45(42)48-46(44)41-20-11-10-19-40(41)43/h1-31H
InChIKeyWCEIVEMDYZERBS-UHFFFAOYSA-N
MW613.76 g/mol
LogP13.21
Rot. Bonds6

About N,4-diphenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline

N,4-diphenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline (PubChem CID 167402762) has the molecular formula C46H31NO and a molecular weight of 613.76 g/mol. Its IUPAC name is N,4-diphenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline.

Molecular Properties

Compound NameN,4-diphenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline
PubChem CID167402762
Molecular FormulaC46H31NO
Molecular Weight613.76 g/mol
Exact Mass613.24
IUPAC NameN,4-diphenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc5c6cccc(-c7ccccc7)c6oc5c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C46H31NO/c1-4-13-32(14-5-1)33-23-27-37(28-24-33)47(36-17-8-3-9-18-36)38-29-25-35(26-30-38)43-31-44-42-22-12-21-39(34-15-6-2-7-16-34)45(42)48-46(44)41-20-11-10-19-40(41)43/h1-31H
InChIKeyWCEIVEMDYZERBS-UHFFFAOYSA-N
XLogP13.21
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.76
LogP ≤ 513.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-dibenzofuran-4-yl-N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]aniline
CID 167143311
N-phenyl-4-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]aniline
CID 131997663
N-(4-phenanthren-9-ylphenyl)-N-phenyl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)aniline
CID 167402206
2-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167143735
4-phenyl-N-[4-[3-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121296601
N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzofuran-3-amine
CID 167143711
N,4-diphenyl-N-[4-[5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]naphthalen-1-amine
CID 167143851
4-dibenzothiophen-1-yl-N-phenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline
CID 167402076
N-phenyl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167144324
N,4-diphenyl-N-[4-[4-(6-phenyldibenzofuran-4-yl)naphthalen-1-yl]phenyl]aniline
CID 130208173
N,6-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126851
N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzothiophen-3-amine
CID 167402936

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline?
The IUPAC name of N,4-diphenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline (CID 167402762) is N,4-diphenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline.
What is the SMILES notation for N,4-diphenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline?
The canonical SMILES for N,4-diphenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc5c6cccc(-c7ccccc7)c6oc5c5ccccc45)cc3)cc2)cc1.
What is the InChIKey of N,4-diphenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline?
The InChIKey is WCEIVEMDYZERBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31NO/c1-4-13-32(14-5-1)33-23-27-37(28-24-33)47(36-17-8-3-9-18-36)38-29-25-35(26-30-38)43-31-44-42-22-12-21-39(34-15-6-2-7-16-34)45(42)48-46(44)41-20-11-10-19-40(41)43/h1-31H.
What are the key properties of N,4-diphenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline?
N,4-diphenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline has a molecular weight of 613.76 g/mol, XLogP of 13.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diphenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline is sourced from PubChem (CID 167402762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).