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

C58H38N2O — CID 176796055

IUPAC8-(9-phenylcarbazol-1-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)c4oc5ccc6ccccc6c5c4c3)cc2)cc1
InChIInChI=1S/C58H38N2O/c1-4-15-39(16-5-1)41-27-32-45(33-28-41)59(46-34-29-42(30-35-46)40-17-6-2-7-18-40)47-37-52(58-53(38-47)56-48-22-11-10-19-43(48)31-36-55(56)61-58)51-25-14-24-50-49-23-12-13-26-54(49)60(57(50)51)44-20-8-3-9-21-44/h1-38H
InChIKeyONIQGDLPDVBSJF-UHFFFAOYSA-N
MW778.96 g/mol
LogP16.31
Rot. Bonds7

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

8-(9-phenylcarbazol-1-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine (PubChem CID 176796055) has the molecular formula C58H38N2O and a molecular weight of 778.96 g/mol. Its IUPAC name is 8-(9-phenylcarbazol-1-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine.

Molecular Properties

Compound Name8-(9-phenylcarbazol-1-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
PubChem CID176796055
Molecular FormulaC58H38N2O
Molecular Weight778.96 g/mol
Exact Mass778.30
IUPAC Name8-(9-phenylcarbazol-1-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)c4oc5ccc6ccccc6c5c4c3)cc2)cc1
InChIInChI=1S/C58H38N2O/c1-4-15-39(16-5-1)41-27-32-45(33-28-41)59(46-34-29-42(30-35-46)40-17-6-2-7-18-40)47-37-52(58-53(38-47)56-48-22-11-10-19-43(48)31-36-55(56)61-58)51-25-14-24-50-49-23-12-13-26-54(49)60(57(50)51)44-20-8-3-9-21-44/h1-38H
InChIKeyONIQGDLPDVBSJF-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

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

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Related Compounds

N-phenyl-11-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795927
8-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 176795922
N-naphthalen-2-yl-8-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 176795921
N-phenyl-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 176795688
10-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176796105
8-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176795645
N-(4-benzo[a]carbazol-11-ylphenyl)-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168805504
N-phenanthren-3-yl-N-phenyl-3-(9-phenylcarbazol-1-yl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795860
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-3-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)aniline
CID 167329894
4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 176607836
N-naphtho[2,1-b][1]benzofuran-10-yl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 163745971
1-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795791

Frequently Asked Questions

What is the IUPAC name of 8-(9-phenylcarbazol-1-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine?
The IUPAC name of 8-(9-phenylcarbazol-1-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine (CID 176796055) is 8-(9-phenylcarbazol-1-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine.
What is the SMILES notation for 8-(9-phenylcarbazol-1-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine?
The canonical SMILES for 8-(9-phenylcarbazol-1-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)c4oc5ccc6ccccc6c5c4c3)cc2)cc1.
What is the InChIKey of 8-(9-phenylcarbazol-1-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine?
The InChIKey is ONIQGDLPDVBSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2O/c1-4-15-39(16-5-1)41-27-32-45(33-28-41)59(46-34-29-42(30-35-46)40-17-6-2-7-18-40)47-37-52(58-53(38-47)56-48-22-11-10-19-43(48)31-36-55(56)61-58)51-25-14-24-50-49-23-12-13-26-54(49)60(57(50)51)44-20-8-3-9-21-44/h1-38H.
What are the key properties of 8-(9-phenylcarbazol-1-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine?
8-(9-phenylcarbazol-1-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-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 8-(9-phenylcarbazol-1-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine is sourced from PubChem (CID 176796055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).