1-(4-naphthalen-2-ylphenyl)-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine

C52H35NO — CID 177281230

IUPAC1-(4-naphthalen-2-ylphenyl)-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5ccccc5c4c3-c3ccc(-c4ccc5ccccc5c4)cc3)cc2)cc1
InChIInChI=1S/C52H35NO/c1-3-11-36(12-4-1)39-25-29-45(30-26-39)53(46-31-27-40(28-32-46)37-13-5-2-6-14-37)48-33-34-50-52(47-17-9-10-18-49(47)54-50)51(48)42-22-19-41(20-23-42)44-24-21-38-15-7-8-16-43(38)35-44/h1-35H
InChIKeyAOHDRFUSOPOISJ-UHFFFAOYSA-N
MW689.86 g/mol
LogP14.88
Rot. Bonds7

About 1-(4-naphthalen-2-ylphenyl)-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine

1-(4-naphthalen-2-ylphenyl)-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine (PubChem CID 177281230) has the molecular formula C52H35NO and a molecular weight of 689.86 g/mol. Its IUPAC name is 1-(4-naphthalen-2-ylphenyl)-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound Name1-(4-naphthalen-2-ylphenyl)-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine
PubChem CID177281230
Molecular FormulaC52H35NO
Molecular Weight689.86 g/mol
Exact Mass689.27
IUPAC Name1-(4-naphthalen-2-ylphenyl)-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5ccccc5c4c3-c3ccc(-c4ccc5ccccc5c4)cc3)cc2)cc1
InChIInChI=1S/C52H35NO/c1-3-11-36(12-4-1)39-25-29-45(30-26-39)53(46-31-27-40(28-32-46)37-13-5-2-6-14-37)48-33-34-50-52(47-17-9-10-18-49(47)54-50)51(48)42-22-19-41(20-23-42)44-24-21-38-15-7-8-16-43(38)35-44/h1-35H
InChIKeyAOHDRFUSOPOISJ-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

N-naphthalen-1-yl-1-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177280879
N-(6-phenylnaphthalen-2-yl)-N,1-bis(3-phenylphenyl)dibenzofuran-2-amine
CID 177281469
1-(2,4-diphenylphenyl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177281004
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 166566100
N-phenanthren-9-yl-N,1-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 177280873
N-naphthalen-1-yl-N-phenyl-1-(4-phenylphenyl)dibenzofuran-2-amine
CID 177281615
11-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-10-amine
CID 170675098
1-phenanthren-3-yl-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177280903
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 170030394
N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 139352752
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 167323696
2-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170030274

Frequently Asked Questions

What is the IUPAC name of 1-(4-naphthalen-2-ylphenyl)-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of 1-(4-naphthalen-2-ylphenyl)-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine (CID 177281230) is 1-(4-naphthalen-2-ylphenyl)-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for 1-(4-naphthalen-2-ylphenyl)-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for 1-(4-naphthalen-2-ylphenyl)-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5ccccc5c4c3-c3ccc(-c4ccc5ccccc5c4)cc3)cc2)cc1.
What is the InChIKey of 1-(4-naphthalen-2-ylphenyl)-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is AOHDRFUSOPOISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NO/c1-3-11-36(12-4-1)39-25-29-45(30-26-39)53(46-31-27-40(28-32-46)37-13-5-2-6-14-37)48-33-34-50-52(47-17-9-10-18-49(47)54-50)51(48)42-22-19-41(20-23-42)44-24-21-38-15-7-8-16-43(38)35-44/h1-35H.
What are the key properties of 1-(4-naphthalen-2-ylphenyl)-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine?
1-(4-naphthalen-2-ylphenyl)-N,N-bis(4-phenylphenyl)dibenzofuran-2-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 1-(4-naphthalen-2-ylphenyl)-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 177281230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).