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

C58H38N2O — CID 176765253

IUPAC5-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)c(-c3ccc5c6ccccc6n(-c6ccccc6)c5c3)cc3oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C58H38N2O/c1-4-15-39(16-5-1)41-27-30-45(31-28-41)59(46-22-14-19-42(35-46)40-17-6-2-7-18-40)47-32-34-50-53(37-47)52(38-57-58(50)51-24-11-13-26-56(51)61-57)43-29-33-49-48-23-10-12-25-54(48)60(55(49)36-43)44-20-8-3-9-21-44/h1-38H
InChIKeyKSYSLOGZBUIYQO-UHFFFAOYSA-N
MW778.96 g/mol
LogP16.31
Rot. Bonds7

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

5-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine (PubChem CID 176765253) has the molecular formula C58H38N2O and a molecular weight of 778.96 g/mol. Its IUPAC name is 5-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine.

Molecular Properties

Compound Name5-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
PubChem CID176765253
Molecular FormulaC58H38N2O
Molecular Weight778.96 g/mol
Exact Mass778.30
IUPAC Name5-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)c(-c3ccc5c6ccccc6n(-c6ccccc6)c5c3)cc3oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C58H38N2O/c1-4-15-39(16-5-1)41-27-30-45(31-28-41)59(46-22-14-19-42(35-46)40-17-6-2-7-18-40)47-32-34-50-53(37-47)52(38-57-58(50)51-24-11-13-26-56(51)61-57)43-29-33-49-48-23-10-12-25-54(48)60(55(49)36-43)44-20-8-3-9-21-44/h1-38H
InChIKeyKSYSLOGZBUIYQO-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

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Related Compounds

3-phenyl-N-[4-[4-(9-phenylcarbazol-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 176765099
N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085107
N-phenyl-5-(9-phenylcarbazol-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-11-amine
CID 176795871
5-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795870
N-[4-(9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaen-6-yl)phenyl]-N,9-diphenylcarbazol-3-amine
CID 162697693
N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-dibenzofuran-1-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 155649267
N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-1-yl-N-phenylaniline
CID 155398130
N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 170033937
3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline
CID 121443717
1-N-phenyl-3-N-[7-(9-phenylcarbazol-2-yl)dibenzofuran-2-yl]-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 149038189
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-3-phenylaniline
CID 155398563
7-N-dibenzofuran-3-yl-3-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410174

Frequently Asked Questions

What is the IUPAC name of 5-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine?
The IUPAC name of 5-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine (CID 176765253) is 5-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine.
What is the SMILES notation for 5-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine?
The canonical SMILES for 5-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine is c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)c(-c3ccc5c6ccccc6n(-c6ccccc6)c5c3)cc3oc5ccccc5c34)cc2)cc1.
What is the InChIKey of 5-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine?
The InChIKey is KSYSLOGZBUIYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2O/c1-4-15-39(16-5-1)41-27-30-45(31-28-41)59(46-22-14-19-42(35-46)40-17-6-2-7-18-40)47-32-34-50-53(37-47)52(38-57-58(50)51-24-11-13-26-56(51)61-57)43-29-33-49-48-23-10-12-25-54(48)60(55(49)36-43)44-20-8-3-9-21-44/h1-38H.
What are the key properties of 5-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine?
5-(9-phenylcarbazol-2-yl)-N-(3-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-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine is sourced from PubChem (CID 176765253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).