10-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine

C58H38N2O — CID 176796105

IUPAC10-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc4c3oc3ccc5ccccc5c34)cc2)cc1
InChIInChI=1S/C58H38N2O/c1-4-16-39(17-5-1)41-30-33-46(34-31-41)59(47-24-14-21-43(36-47)40-18-6-2-7-19-40)54-38-44(37-52-56-48-25-11-10-20-42(48)32-35-55(56)61-58(52)54)49-27-15-28-51-50-26-12-13-29-53(50)60(57(49)51)45-22-8-3-9-23-45/h1-38H
InChIKeyMAHCQUQNLRVZGG-UHFFFAOYSA-N
MW778.96 g/mol
LogP16.31
Rot. Bonds7

About 10-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine

10-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine (PubChem CID 176796105) has the molecular formula C58H38N2O and a molecular weight of 778.96 g/mol. Its IUPAC name is 10-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine.

Molecular Properties

Compound Name10-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
PubChem CID176796105
Molecular FormulaC58H38N2O
Molecular Weight778.96 g/mol
Exact Mass778.30
IUPAC Name10-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc4c3oc3ccc5ccccc5c34)cc2)cc1
InChIInChI=1S/C58H38N2O/c1-4-16-39(17-5-1)41-30-33-46(34-31-41)59(47-24-14-21-43(36-47)40-18-6-2-7-19-40)54-38-44(37-52-56-48-25-11-10-20-42(48)32-35-55(56)61-58(52)54)49-27-15-28-51-50-26-12-13-29-53(50)60(57(49)51)45-22-8-3-9-23-45/h1-38H
InChIKeyMAHCQUQNLRVZGG-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

8-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176795645
N-naphthalen-2-yl-N-phenyl-10-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176796058
8-(9-phenylcarbazol-1-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 176796055
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine
CID 170033639
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-3-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)aniline
CID 167329894
8-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 176795922
11-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176795613
N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine
CID 170034219
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164790797
N-(3-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-2-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 167330599
11-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176795822
N-phenyl-9-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-1-amine
CID 176795959

Frequently Asked Questions

What is the IUPAC name of 10-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
The IUPAC name of 10-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine (CID 176796105) is 10-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine.
What is the SMILES notation for 10-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
The canonical SMILES for 10-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine is c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc4c3oc3ccc5ccccc5c34)cc2)cc1.
What is the InChIKey of 10-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
The InChIKey is MAHCQUQNLRVZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2O/c1-4-16-39(17-5-1)41-30-33-46(34-31-41)59(47-24-14-21-43(36-47)40-18-6-2-7-19-40)54-38-44(37-52-56-48-25-11-10-20-42(48)32-35-55(56)61-58(52)54)49-27-15-28-51-50-26-12-13-29-53(50)60(57(49)51)45-22-8-3-9-23-45/h1-38H.
What are the key properties of 10-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
10-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-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 10-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine is sourced from PubChem (CID 176796105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).