7-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine

C52H35NO — CID 170675326

IUPAC7-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cc(-c5ccccc5)c5c(c4)oc4c6ccccc6ccc45)cc3)cc2)cc1
InChIInChI=1S/C52H35NO/c1-4-12-36(13-5-1)38-20-22-39(23-21-38)41-26-31-45(32-27-41)53(44-29-24-40(25-30-44)37-14-6-2-7-15-37)46-34-49(42-16-8-3-9-17-42)51-48-33-28-43-18-10-11-19-47(43)52(48)54-50(51)35-46/h1-35H
InChIKeyHUHLPOGEXOLHOG-UHFFFAOYSA-N
MW689.86 g/mol
LogP14.88
Rot. Bonds7

About 7-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine

7-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine (PubChem CID 170675326) has the molecular formula C52H35NO and a molecular weight of 689.86 g/mol. Its IUPAC name is 7-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine.

Molecular Properties

Compound Name7-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine
PubChem CID170675326
Molecular FormulaC52H35NO
Molecular Weight689.86 g/mol
Exact Mass689.27
IUPAC Name7-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cc(-c5ccccc5)c5c(c4)oc4c6ccccc6ccc45)cc3)cc2)cc1
InChIInChI=1S/C52H35NO/c1-4-12-36(13-5-1)38-20-22-39(23-21-38)41-26-31-45(32-27-41)53(44-29-24-40(25-30-44)37-14-6-2-7-15-37)46-34-49(42-16-8-3-9-17-42)51-48-33-28-43-18-10-11-19-47(43)52(48)54-50(51)35-46/h1-35H
InChIKeyHUHLPOGEXOLHOG-UHFFFAOYSA-N
XLogP14.88
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.86
LogP ≤ 514.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 171757161
N-(4-dibenzothiophen-4-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 170675176
11-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 170675685
3-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166939687
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-phenylaniline
CID 167331023
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-4-phenylaniline
CID 170272469
4-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167331254
N-(4-dibenzofuran-3-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-4-(4-phenylphenyl)aniline
CID 167329609
4-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-phenylaniline
CID 166939396
4-phenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 170243095
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-phenyl-7-(7-phenylnaphthalen-2-yl)naphthalen-2-amine
CID 174258690
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 167329673

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine?
The IUPAC name of 7-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine (CID 170675326) is 7-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine.
What is the SMILES notation for 7-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine?
The canonical SMILES for 7-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cc(-c5ccccc5)c5c(c4)oc4c6ccccc6ccc45)cc3)cc2)cc1.
What is the InChIKey of 7-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine?
The InChIKey is HUHLPOGEXOLHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NO/c1-4-12-36(13-5-1)38-20-22-39(23-21-38)41-26-31-45(32-27-41)53(44-29-24-40(25-30-44)37-14-6-2-7-15-37)46-34-49(42-16-8-3-9-17-42)51-48-33-28-43-18-10-11-19-47(43)52(48)54-50(51)35-46/h1-35H.
What are the key properties of 7-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine?
7-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine has a molecular weight of 689.86 g/mol, XLogP of 14.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine is sourced from PubChem (CID 170675326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).