9-phenyl-N-(5-phenylnaphtho[2,1-b][1]benzofuran-11-yl)-N-(4-phenylphenyl)carbazol-2-amine

C52H34N2O — CID 176795732

IUPAC9-phenyl-N-(5-phenylnaphtho[2,1-b][1]benzofuran-11-yl)-N-(4-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3cccc4oc5cc(-c6ccccc6)c6ccccc6c5c34)cc2)cc1
InChIInChI=1S/C52H34N2O/c1-4-15-35(16-5-1)36-27-29-39(30-28-36)53(40-31-32-43-42-22-12-13-24-46(42)54(48(43)33-40)38-19-8-3-9-20-38)47-25-14-26-49-52(47)51-44-23-11-10-21-41(44)45(34-50(51)55-49)37-17-6-2-7-18-37/h1-34H
InChIKeyYOZQJAZIOAVNDG-UHFFFAOYSA-N
MW702.86 g/mol
LogP14.64
Rot. Bonds6

About 9-phenyl-N-(5-phenylnaphtho[2,1-b][1]benzofuran-11-yl)-N-(4-phenylphenyl)carbazol-2-amine

9-phenyl-N-(5-phenylnaphtho[2,1-b][1]benzofuran-11-yl)-N-(4-phenylphenyl)carbazol-2-amine (PubChem CID 176795732) has the molecular formula C52H34N2O and a molecular weight of 702.86 g/mol. Its IUPAC name is 9-phenyl-N-(5-phenylnaphtho[2,1-b][1]benzofuran-11-yl)-N-(4-phenylphenyl)carbazol-2-amine.

Molecular Properties

Compound Name9-phenyl-N-(5-phenylnaphtho[2,1-b][1]benzofuran-11-yl)-N-(4-phenylphenyl)carbazol-2-amine
PubChem CID176795732
Molecular FormulaC52H34N2O
Molecular Weight702.86 g/mol
Exact Mass702.27
IUPAC Name9-phenyl-N-(5-phenylnaphtho[2,1-b][1]benzofuran-11-yl)-N-(4-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3cccc4oc5cc(-c6ccccc6)c6ccccc6c5c34)cc2)cc1
InChIInChI=1S/C52H34N2O/c1-4-15-35(16-5-1)36-27-29-39(30-28-36)53(40-31-32-43-42-22-12-13-24-46(42)54(48(43)33-40)38-19-8-3-9-20-38)47-25-14-26-49-52(47)51-44-23-11-10-21-41(44)45(34-50(51)55-49)37-17-6-2-7-18-37/h1-34H
InChIKeyYOZQJAZIOAVNDG-UHFFFAOYSA-N
XLogP14.64
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.86
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-5-(9-phenylcarbazol-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-11-amine
CID 176795871
N,N-diphenyl-5-(9-phenylcarbazol-2-yl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176795601
5-(9-phenylcarbazol-1-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176795873
5-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176795776
9-phenyl-N-(5-phenylnaphtho[2,1-b][1]benzofuran-10-yl)-N-(4-phenylphenyl)carbazol-4-amine
CID 176795701
N-dibenzofuran-1-yl-N-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814779
N-dibenzofuran-1-yl-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169010129
N-naphtho[2,3-b][1]benzofuran-1-yl-N-(4-phenanthren-9-ylphenyl)-9-phenylcarbazol-2-amine
CID 167031787
N-[4-[4-(N-dibenzofuran-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine
CID 171057527
5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)-N-[(2-phenylphenyl)methyl]naphtho[2,1-b][1]benzofuran-11-amine
CID 176796146
N,9-bis(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 138668241
5-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 176765253

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-(5-phenylnaphtho[2,1-b][1]benzofuran-11-yl)-N-(4-phenylphenyl)carbazol-2-amine?
The IUPAC name of 9-phenyl-N-(5-phenylnaphtho[2,1-b][1]benzofuran-11-yl)-N-(4-phenylphenyl)carbazol-2-amine (CID 176795732) is 9-phenyl-N-(5-phenylnaphtho[2,1-b][1]benzofuran-11-yl)-N-(4-phenylphenyl)carbazol-2-amine.
What is the SMILES notation for 9-phenyl-N-(5-phenylnaphtho[2,1-b][1]benzofuran-11-yl)-N-(4-phenylphenyl)carbazol-2-amine?
The canonical SMILES for 9-phenyl-N-(5-phenylnaphtho[2,1-b][1]benzofuran-11-yl)-N-(4-phenylphenyl)carbazol-2-amine is c1ccc(-c2ccc(N(c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3cccc4oc5cc(-c6ccccc6)c6ccccc6c5c34)cc2)cc1.
What is the InChIKey of 9-phenyl-N-(5-phenylnaphtho[2,1-b][1]benzofuran-11-yl)-N-(4-phenylphenyl)carbazol-2-amine?
The InChIKey is YOZQJAZIOAVNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2O/c1-4-15-35(16-5-1)36-27-29-39(30-28-36)53(40-31-32-43-42-22-12-13-24-46(42)54(48(43)33-40)38-19-8-3-9-20-38)47-25-14-26-49-52(47)51-44-23-11-10-21-41(44)45(34-50(51)55-49)37-17-6-2-7-18-37/h1-34H.
What are the key properties of 9-phenyl-N-(5-phenylnaphtho[2,1-b][1]benzofuran-11-yl)-N-(4-phenylphenyl)carbazol-2-amine?
9-phenyl-N-(5-phenylnaphtho[2,1-b][1]benzofuran-11-yl)-N-(4-phenylphenyl)carbazol-2-amine has a molecular weight of 702.86 g/mol, XLogP of 14.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-N-(5-phenylnaphtho[2,1-b][1]benzofuran-11-yl)-N-(4-phenylphenyl)carbazol-2-amine is sourced from PubChem (CID 176795732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).