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

C58H38N2O — CID 176795871

IUPACN-phenyl-5-(9-phenylcarbazol-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-11-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cccc5oc6cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)c7ccccc7c6c45)cc3)cc2)cc1
InChIInChI=1S/C58H38N2O/c1-4-15-39(16-5-1)40-27-29-41(30-28-40)42-31-34-46(35-32-42)59(44-17-6-2-7-18-44)53-25-14-26-55-58(53)57-50-23-11-10-21-47(50)51(38-56(57)61-55)43-33-36-49-48-22-12-13-24-52(48)60(54(49)37-43)45-19-8-3-9-20-45/h1-38H
InChIKeyJRZUHUQRONPNNH-UHFFFAOYSA-N
MW778.96 g/mol
LogP16.31
Rot. Bonds7

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

N-phenyl-5-(9-phenylcarbazol-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-11-amine (PubChem CID 176795871) has the molecular formula C58H38N2O and a molecular weight of 778.96 g/mol. Its IUPAC name is N-phenyl-5-(9-phenylcarbazol-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-11-amine.

Molecular Properties

Compound NameN-phenyl-5-(9-phenylcarbazol-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-11-amine
PubChem CID176795871
Molecular FormulaC58H38N2O
Molecular Weight778.96 g/mol
Exact Mass778.30
IUPAC NameN-phenyl-5-(9-phenylcarbazol-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-11-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cccc5oc6cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)c7ccccc7c6c45)cc3)cc2)cc1
InChIInChI=1S/C58H38N2O/c1-4-15-39(16-5-1)40-27-29-41(30-28-40)42-31-34-46(35-32-42)59(44-17-6-2-7-18-44)53-25-14-26-55-58(53)57-50-23-11-10-21-47(50)51(38-56(57)61-55)43-33-36-49-48-22-12-13-24-52(48)60(54(49)37-43)45-19-8-3-9-20-45/h1-38H
InChIKeyJRZUHUQRONPNNH-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-2-yl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176795601
9-phenyl-N-(5-phenylnaphtho[2,1-b][1]benzofuran-11-yl)-N-(4-phenylphenyl)carbazol-2-amine
CID 176795732
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
5-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 176765253
N-phenyl-9-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 129178935
5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)-N-[(2-phenylphenyl)methyl]naphtho[2,1-b][1]benzofuran-11-amine
CID 176796146
N,N-diphenyl-5-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176795724
2-[3-(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 118505760
9-phenyl-N-(5-phenylnaphtho[2,1-b][1]benzofuran-10-yl)-N-(4-phenylphenyl)carbazol-4-amine
CID 176795701
2-N,4-N-diphenyl-9-(9-phenylcarbazol-2-yl)-2-N,4-N-bis(4-phenylphenyl)dibenzofuran-2,4-diamine
CID 129178921
3-phenyl-N-[4-[4-(9-phenylcarbazol-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 176765099

Frequently Asked Questions

What is the IUPAC name of N-phenyl-5-(9-phenylcarbazol-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-11-amine?
The IUPAC name of N-phenyl-5-(9-phenylcarbazol-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-11-amine (CID 176795871) is N-phenyl-5-(9-phenylcarbazol-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-11-amine.
What is the SMILES notation for N-phenyl-5-(9-phenylcarbazol-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-11-amine?
The canonical SMILES for N-phenyl-5-(9-phenylcarbazol-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-11-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cccc5oc6cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)c7ccccc7c6c45)cc3)cc2)cc1.
What is the InChIKey of N-phenyl-5-(9-phenylcarbazol-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-11-amine?
The InChIKey is JRZUHUQRONPNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2O/c1-4-15-39(16-5-1)40-27-29-41(30-28-40)42-31-34-46(35-32-42)59(44-17-6-2-7-18-44)53-25-14-26-55-58(53)57-50-23-11-10-21-47(50)51(38-56(57)61-55)43-33-36-49-48-22-12-13-24-52(48)60(54(49)37-43)45-19-8-3-9-20-45/h1-38H.
What are the key properties of N-phenyl-5-(9-phenylcarbazol-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-11-amine?
N-phenyl-5-(9-phenylcarbazol-2-yl)-N-[4-(4-phenylphenyl)phenyl]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 N-phenyl-5-(9-phenylcarbazol-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-11-amine is sourced from PubChem (CID 176795871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).