5-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine

C58H38N2O — CID 176795776

IUPAC5-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4oc5cc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c6ccccc6c5c34)cc2)cc1
InChIInChI=1S/C58H38N2O/c1-4-17-39(18-5-1)41-33-35-44(36-34-41)59(45-24-14-21-42(37-45)40-19-6-2-7-20-40)53-31-16-32-54-58(53)57-47-26-11-10-25-46(47)50(38-55(57)61-54)48-28-15-30-52-56(48)49-27-12-13-29-51(49)60(52)43-22-8-3-9-23-43/h1-38H
InChIKeyPAPZXXOXBFSTOY-UHFFFAOYSA-N
MW778.96 g/mol
LogP16.31
Rot. Bonds7

About 5-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine

5-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine (PubChem CID 176795776) has the molecular formula C58H38N2O and a molecular weight of 778.96 g/mol. Its IUPAC name is 5-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine.

Molecular Properties

Compound Name5-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
PubChem CID176795776
Molecular FormulaC58H38N2O
Molecular Weight778.96 g/mol
Exact Mass778.30
IUPAC Name5-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4oc5cc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c6ccccc6c5c34)cc2)cc1
InChIInChI=1S/C58H38N2O/c1-4-17-39(18-5-1)41-33-35-44(36-34-41)59(45-24-14-21-42(37-45)40-19-6-2-7-20-40)53-31-16-32-54-58(53)57-47-26-11-10-25-46(47)50(38-55(57)61-54)48-28-15-30-52-56(48)49-27-12-13-29-51(49)60(52)43-22-8-3-9-23-43/h1-38H
InChIKeyPAPZXXOXBFSTOY-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

N,N-diphenyl-5-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176795724
5-(9-phenylcarbazol-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 176765221
5-(9-phenylcarbazol-1-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176795873
9-phenyl-N-(5-phenylnaphtho[2,1-b][1]benzofuran-11-yl)-N-(4-phenylphenyl)carbazol-2-amine
CID 176795732
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-4-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 176795838
N-(3-naphtho[2,1-b][1]benzofuran-1-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 168807443
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[3-(4-phenylphenyl)phenyl]aniline
CID 155398509
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-[3-(3-phenylphenyl)phenyl]aniline
CID 155398660
N,N-diphenyl-5-(9-phenylcarbazol-2-yl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176795601
N-dibenzofuran-1-yl-9-phenyl-N,5-bis(3-phenylphenyl)carbazol-2-amine
CID 169010211
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 5-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine?
The IUPAC name of 5-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine (CID 176795776) is 5-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine.
What is the SMILES notation for 5-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine?
The canonical SMILES for 5-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine is c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4oc5cc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c6ccccc6c5c34)cc2)cc1.
What is the InChIKey of 5-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine?
The InChIKey is PAPZXXOXBFSTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2O/c1-4-17-39(18-5-1)41-33-35-44(36-34-41)59(45-24-14-21-42(37-45)40-19-6-2-7-20-40)53-31-16-32-54-58(53)57-47-26-11-10-25-46(47)50(38-55(57)61-54)48-28-15-30-52-56(48)49-27-12-13-29-51(49)60(52)43-22-8-3-9-23-43/h1-38H.
What are the key properties of 5-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine?
5-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-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-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine is sourced from PubChem (CID 176795776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).