9-phenyl-N-(5-phenylnaphtho[2,1-b][1]benzofuran-10-yl)-N-(4-phenylphenyl)carbazol-4-amine

C52H34N2O — CID 176795701

IUPAC9-phenyl-N-(5-phenylnaphtho[2,1-b][1]benzofuran-10-yl)-N-(4-phenylphenyl)carbazol-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc4oc5cc(-c6ccccc6)c6ccccc6c5c4c3)c3cccc4c3c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C52H34N2O/c1-4-15-35(16-5-1)36-27-29-39(30-28-36)53(47-25-14-26-48-52(47)43-23-12-13-24-46(43)54(48)38-19-8-3-9-20-38)40-31-32-49-45(33-40)51-42-22-11-10-21-41(42)44(34-50(51)55-49)37-17-6-2-7-18-37/h1-34H
InChIKeyVBXMORATZUDFRD-UHFFFAOYSA-N
MW702.86 g/mol
LogP14.64
Rot. Bonds6

About 9-phenyl-N-(5-phenylnaphtho[2,1-b][1]benzofuran-10-yl)-N-(4-phenylphenyl)carbazol-4-amine

9-phenyl-N-(5-phenylnaphtho[2,1-b][1]benzofuran-10-yl)-N-(4-phenylphenyl)carbazol-4-amine (PubChem CID 176795701) 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-10-yl)-N-(4-phenylphenyl)carbazol-4-amine.

Molecular Properties

Compound Name9-phenyl-N-(5-phenylnaphtho[2,1-b][1]benzofuran-10-yl)-N-(4-phenylphenyl)carbazol-4-amine
PubChem CID176795701
Molecular FormulaC52H34N2O
Molecular Weight702.86 g/mol
Exact Mass702.27
IUPAC Name9-phenyl-N-(5-phenylnaphtho[2,1-b][1]benzofuran-10-yl)-N-(4-phenylphenyl)carbazol-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc4oc5cc(-c6ccccc6)c6ccccc6c5c4c3)c3cccc4c3c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C52H34N2O/c1-4-15-35(16-5-1)36-27-29-39(30-28-36)53(47-25-14-26-48-52(47)43-23-12-13-24-46(43)54(48)38-19-8-3-9-20-38)40-31-32-49-45(33-40)51-42-22-11-10-21-41(42)44(34-50(51)55-49)37-17-6-2-7-18-37/h1-34H
InChIKeyVBXMORATZUDFRD-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

Analyze 9-phenyl-N-(5-phenylnaphtho[2,1-b][1]benzofuran-10-yl)-N-(4-phenylphenyl)carbazol-4-amine with MolForge

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Related Compounds

5-(9-phenylcarbazol-4-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 176795838
10-(9-phenylcarbazol-4-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine
CID 176795708
5-(9-phenylcarbazol-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 176765221
N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N,9-diphenylcarbazol-4-amine
CID 170034217
9-phenyl-N-(5-phenylnaphtho[2,1-b][1]benzofuran-11-yl)-N-(4-phenylphenyl)carbazol-2-amine
CID 176795732
N-dibenzofuran-1-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 170301401
5-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176795776
N-(3-naphtho[2,1-b][1]benzofuran-1-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 168807443
N-dibenzofuran-1-yl-N,5,9-triphenylcarbazol-3-amine
CID 169009623
N-phenyl-5-(9-phenylcarbazol-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-11-amine
CID 176795871
N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]carbazol-4-amine
CID 168805442
N-dibenzofuran-1-yl-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169010129

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-(5-phenylnaphtho[2,1-b][1]benzofuran-10-yl)-N-(4-phenylphenyl)carbazol-4-amine?
The IUPAC name of 9-phenyl-N-(5-phenylnaphtho[2,1-b][1]benzofuran-10-yl)-N-(4-phenylphenyl)carbazol-4-amine (CID 176795701) is 9-phenyl-N-(5-phenylnaphtho[2,1-b][1]benzofuran-10-yl)-N-(4-phenylphenyl)carbazol-4-amine.
What is the SMILES notation for 9-phenyl-N-(5-phenylnaphtho[2,1-b][1]benzofuran-10-yl)-N-(4-phenylphenyl)carbazol-4-amine?
The canonical SMILES for 9-phenyl-N-(5-phenylnaphtho[2,1-b][1]benzofuran-10-yl)-N-(4-phenylphenyl)carbazol-4-amine is c1ccc(-c2ccc(N(c3ccc4oc5cc(-c6ccccc6)c6ccccc6c5c4c3)c3cccc4c3c3ccccc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of 9-phenyl-N-(5-phenylnaphtho[2,1-b][1]benzofuran-10-yl)-N-(4-phenylphenyl)carbazol-4-amine?
The InChIKey is VBXMORATZUDFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2O/c1-4-15-35(16-5-1)36-27-29-39(30-28-36)53(47-25-14-26-48-52(47)43-23-12-13-24-46(43)54(48)38-19-8-3-9-20-38)40-31-32-49-45(33-40)51-42-22-11-10-21-41(42)44(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-10-yl)-N-(4-phenylphenyl)carbazol-4-amine?
9-phenyl-N-(5-phenylnaphtho[2,1-b][1]benzofuran-10-yl)-N-(4-phenylphenyl)carbazol-4-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-10-yl)-N-(4-phenylphenyl)carbazol-4-amine is sourced from PubChem (CID 176795701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).