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

C58H38N2O — CID 176795791

IUPAC1-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)oc3ccc5cccc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)c5c34)cc2)cc1
InChIInChI=1S/C58H38N2O/c1-4-15-39(16-5-1)41-29-32-45(33-30-41)59(46-23-12-20-43(37-46)40-17-6-2-7-18-40)47-34-35-52-55(38-47)61-54-36-31-42-19-13-25-49(56(42)57(52)54)51-27-14-26-50-48-24-10-11-28-53(48)60(58(50)51)44-21-8-3-9-22-44/h1-38H
InChIKeyNJDGKGGAQXXNEV-UHFFFAOYSA-N
MW778.96 g/mol
LogP16.31
Rot. Bonds7

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

1-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine (PubChem CID 176795791) has the molecular formula C58H38N2O and a molecular weight of 778.96 g/mol. Its IUPAC name is 1-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine.

Molecular Properties

Compound Name1-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
PubChem CID176795791
Molecular FormulaC58H38N2O
Molecular Weight778.96 g/mol
Exact Mass778.30
IUPAC Name1-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)oc3ccc5cccc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)c5c34)cc2)cc1
InChIInChI=1S/C58H38N2O/c1-4-15-39(16-5-1)41-29-32-45(33-30-41)59(46-23-12-20-43(37-46)40-17-6-2-7-18-40)47-34-35-52-55(38-47)61-54-36-31-42-19-13-25-49(56(42)57(52)54)51-27-14-26-50-48-24-10-11-28-53(48)60(58(50)51)44-21-8-3-9-22-44/h1-38H
InChIKeyNJDGKGGAQXXNEV-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-phenyl-9-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-1-amine
CID 176795959
N-phenyl-11-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795927
N-phenanthren-3-yl-N-phenyl-3-(9-phenylcarbazol-1-yl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795860
N-(4-dibenzofuran-3-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298828
8-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176795645
3-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795911
methane;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 165018255
N-phenanthren-3-yl-N-phenyl-11-(9-phenylcarbazol-1-yl)naphtho[2,1-b][1]benzofuran-3-amine
CID 176795994
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 166847504
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 170298887
N-dibenzofuran-3-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine
CID 166847754
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine
CID 170033639

Frequently Asked Questions

What is the IUPAC name of 1-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The IUPAC name of 1-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine (CID 176795791) is 1-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine.
What is the SMILES notation for 1-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The canonical SMILES for 1-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine is c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)oc3ccc5cccc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)c5c34)cc2)cc1.
What is the InChIKey of 1-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The InChIKey is NJDGKGGAQXXNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2O/c1-4-15-39(16-5-1)41-29-32-45(33-30-41)59(46-23-12-20-43(37-46)40-17-6-2-7-18-40)47-34-35-52-55(38-47)61-54-36-31-42-19-13-25-49(56(42)57(52)54)51-27-14-26-50-48-24-10-11-28-53(48)60(58(50)51)44-21-8-3-9-22-44/h1-38H.
What are the key properties of 1-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
1-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-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 1-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine is sourced from PubChem (CID 176795791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).