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

C58H38N2O — CID 176795708

IUPAC10-(9-phenylcarbazol-4-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3ccc3oc5ccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)cc5c34)cc2)cc1
InChIInChI=1S/C58H38N2O/c1-4-14-39(15-5-1)41-26-31-45(32-27-41)59(46-33-28-42(29-34-46)40-16-6-2-7-17-40)52-24-13-22-49-48(52)35-37-56-58(49)51-38-43(30-36-55(51)61-56)47-21-12-25-54-57(47)50-20-10-11-23-53(50)60(54)44-18-8-3-9-19-44/h1-38H
InChIKeyFGENYDPNAWYYKQ-UHFFFAOYSA-N
MW778.96 g/mol
LogP16.31
Rot. Bonds7

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

10-(9-phenylcarbazol-4-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine (PubChem CID 176795708) has the molecular formula C58H38N2O and a molecular weight of 778.96 g/mol. Its IUPAC name is 10-(9-phenylcarbazol-4-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine.

Molecular Properties

Compound Name10-(9-phenylcarbazol-4-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine
PubChem CID176795708
Molecular FormulaC58H38N2O
Molecular Weight778.96 g/mol
Exact Mass778.30
IUPAC Name10-(9-phenylcarbazol-4-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3ccc3oc5ccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)cc5c34)cc2)cc1
InChIInChI=1S/C58H38N2O/c1-4-14-39(15-5-1)41-26-31-45(32-27-41)59(46-33-28-42(29-34-46)40-16-6-2-7-17-40)52-24-13-22-49-48(52)35-37-56-58(49)51-38-43(30-36-55(51)61-56)47-21-12-25-54-57(47)50-20-10-11-23-53(50)60(54)44-18-8-3-9-19-44/h1-38H
InChIKeyFGENYDPNAWYYKQ-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 10-(9-phenylcarbazol-4-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine with MolForge

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Related Compounds

9-phenyl-N-(5-phenylnaphtho[2,1-b][1]benzofuran-10-yl)-N-(4-phenylphenyl)carbazol-4-amine
CID 176795701
5-(9-phenylcarbazol-4-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 176795838
5-(9-phenylcarbazol-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 176765221
N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N,9-diphenylcarbazol-4-amine
CID 170034217
N-phenyl-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166659568
2-[3-(9-dibenzofuran-2-ylcarbazol-4-yl)phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166659838
N,N-bis(4-phenylphenyl)-2-[3-[9-(4-phenylphenyl)carbazol-4-yl]phenyl]aniline
CID 167196113
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 121358652
N-(3-naphtho[2,1-b][1]benzofuran-1-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 168807443
9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]fluoren-1-amine
CID 121358600
9-phenyl-N-(4-phenylphenyl)-N-[4-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazol-4-amine
CID 176878123
N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]carbazol-4-amine
CID 168805442

Frequently Asked Questions

What is the IUPAC name of 10-(9-phenylcarbazol-4-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine?
The IUPAC name of 10-(9-phenylcarbazol-4-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine (CID 176795708) is 10-(9-phenylcarbazol-4-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine.
What is the SMILES notation for 10-(9-phenylcarbazol-4-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine?
The canonical SMILES for 10-(9-phenylcarbazol-4-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3ccc3oc5ccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)cc5c34)cc2)cc1.
What is the InChIKey of 10-(9-phenylcarbazol-4-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine?
The InChIKey is FGENYDPNAWYYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2O/c1-4-14-39(15-5-1)41-26-31-45(32-27-41)59(46-33-28-42(29-34-46)40-16-6-2-7-17-40)52-24-13-22-49-48(52)35-37-56-58(49)51-38-43(30-36-55(51)61-56)47-21-12-25-54-57(47)50-20-10-11-23-53(50)60(54)44-18-8-3-9-19-44/h1-38H.
What are the key properties of 10-(9-phenylcarbazol-4-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine?
10-(9-phenylcarbazol-4-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-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-4-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine is sourced from PubChem (CID 176795708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).