5-(9-phenylcarbazol-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine

C58H38N2O — CID 176765221

IUPAC5-(9-phenylcarbazol-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)c(-c3cccc5c3c3ccccc3n5-c3ccccc3)cc3oc5ccccc5c34)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C58H38N2O/c1-4-17-39(18-5-1)40-31-33-43(34-32-40)59(52-27-13-10-23-45(52)41-19-6-2-7-20-41)44-35-36-47-50(37-44)51(38-56-58(47)49-25-12-15-30-55(49)61-56)46-26-16-29-54-57(46)48-24-11-14-28-53(48)60(54)42-21-8-3-9-22-42/h1-38H
InChIKeyXATWGRJMOPRBIU-UHFFFAOYSA-N
MW778.96 g/mol
LogP16.31
Rot. Bonds7

About 5-(9-phenylcarbazol-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine

5-(9-phenylcarbazol-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine (PubChem CID 176765221) has the molecular formula C58H38N2O and a molecular weight of 778.96 g/mol. Its IUPAC name is 5-(9-phenylcarbazol-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine.

Molecular Properties

Compound Name5-(9-phenylcarbazol-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
PubChem CID176765221
Molecular FormulaC58H38N2O
Molecular Weight778.96 g/mol
Exact Mass778.30
IUPAC Name5-(9-phenylcarbazol-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)c(-c3cccc5c3c3ccccc3n5-c3ccccc3)cc3oc5ccccc5c34)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C58H38N2O/c1-4-17-39(18-5-1)40-31-33-43(34-32-40)59(52-27-13-10-23-45(52)41-19-6-2-7-20-41)44-35-36-47-50(37-44)51(38-56-58(47)49-25-12-15-30-55(49)61-56)46-26-16-29-54-57(46)48-24-11-14-28-53(48)60(54)42-21-8-3-9-22-42/h1-38H
InChIKeyXATWGRJMOPRBIU-UHFFFAOYSA-N
XLogP16.31
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.96
LogP ≤ 516.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(9-phenylcarbazol-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-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
5-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176795776
N-dibenzofuran-1-yl-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169010129
9-phenyl-N-(5-phenylnaphtho[2,1-b][1]benzofuran-10-yl)-N-(4-phenylphenyl)carbazol-4-amine
CID 176795701
10-(9-phenylcarbazol-4-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine
CID 176795708
N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N,9-diphenylcarbazol-4-amine
CID 170034217
N-[4-(7-phenylbenzo[c]carbazol-2-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 166847555
N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-3-amine
CID 170033942
N-dibenzofuran-1-yl-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 169009626
N-dibenzofuran-2-yl-5,9-diphenyl-N-(2-phenylphenyl)carbazol-3-amine
CID 169010488
N-dibenzofuran-1-yl-N,5,9-triphenylcarbazol-3-amine
CID 169009623
N,N-diphenyl-5-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176795724

Frequently Asked Questions

What is the IUPAC name of 5-(9-phenylcarbazol-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine?
The IUPAC name of 5-(9-phenylcarbazol-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine (CID 176765221) is 5-(9-phenylcarbazol-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine.
What is the SMILES notation for 5-(9-phenylcarbazol-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine?
The canonical SMILES for 5-(9-phenylcarbazol-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)c(-c3cccc5c3c3ccccc3n5-c3ccccc3)cc3oc5ccccc5c34)c3ccccc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 5-(9-phenylcarbazol-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine?
The InChIKey is XATWGRJMOPRBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2O/c1-4-17-39(18-5-1)40-31-33-43(34-32-40)59(52-27-13-10-23-45(52)41-19-6-2-7-20-41)44-35-36-47-50(37-44)51(38-56-58(47)49-25-12-15-30-55(49)61-56)46-26-16-29-54-57(46)48-24-11-14-28-53(48)60(54)42-21-8-3-9-22-42/h1-38H.
What are the key properties of 5-(9-phenylcarbazol-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine?
5-(9-phenylcarbazol-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine has a molecular weight of 778.96 g/mol, XLogP of 16.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9-phenylcarbazol-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine is sourced from PubChem (CID 176765221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).