5-(9-phenylcarbazol-4-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine

C58H38N2O — CID 176795838

IUPAC5-(9-phenylcarbazol-4-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5cc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c6ccccc6c5c4c3)cc2)cc1
InChIInChI=1S/C58H38N2O/c1-4-15-39(16-5-1)41-27-31-44(32-28-41)59(45-33-29-42(30-34-45)40-17-6-2-7-18-40)46-35-36-55-52(37-46)58-48-22-11-10-21-47(48)51(38-56(58)61-55)49-24-14-26-54-57(49)50-23-12-13-25-53(50)60(54)43-19-8-3-9-20-43/h1-38H
InChIKeyRBVMZRLAHFAQDA-UHFFFAOYSA-N
MW778.96 g/mol
LogP16.31
Rot. Bonds7

About 5-(9-phenylcarbazol-4-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine

5-(9-phenylcarbazol-4-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine (PubChem CID 176795838) has the molecular formula C58H38N2O and a molecular weight of 778.96 g/mol. Its IUPAC name is 5-(9-phenylcarbazol-4-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine.

Molecular Properties

Compound Name5-(9-phenylcarbazol-4-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
PubChem CID176795838
Molecular FormulaC58H38N2O
Molecular Weight778.96 g/mol
Exact Mass778.30
IUPAC Name5-(9-phenylcarbazol-4-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5cc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c6ccccc6c5c4c3)cc2)cc1
InChIInChI=1S/C58H38N2O/c1-4-15-39(16-5-1)41-27-31-44(32-28-41)59(45-33-29-42(30-34-45)40-17-6-2-7-18-40)46-35-36-55-52(37-46)58-48-22-11-10-21-47(48)51(38-56(58)61-55)49-24-14-26-54-57(49)50-23-12-13-25-53(50)60(54)43-19-8-3-9-20-43/h1-38H
InChIKeyRBVMZRLAHFAQDA-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

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-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 176765221
10-(9-phenylcarbazol-4-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine
CID 176795708
N-dibenzofuran-2-yl-9-phenyl-N,5-bis(4-phenylphenyl)carbazol-3-amine
CID 169010452
5-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176795776
5-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphtho[2,1-b][1]benzofuran-9-amine
CID 176796154
N-naphthalen-2-yl-11-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176796141
N-naphtho[2,1-b][1]benzofuran-10-yl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 163745971
N-(4-dibenzofuran-3-ylphenyl)-N,5,9-triphenylcarbazol-3-amine
CID 169010221
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
5-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 176765253

Frequently Asked Questions

What is the IUPAC name of 5-(9-phenylcarbazol-4-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine?
The IUPAC name of 5-(9-phenylcarbazol-4-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine (CID 176795838) is 5-(9-phenylcarbazol-4-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine.
What is the SMILES notation for 5-(9-phenylcarbazol-4-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine?
The canonical SMILES for 5-(9-phenylcarbazol-4-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5cc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c6ccccc6c5c4c3)cc2)cc1.
What is the InChIKey of 5-(9-phenylcarbazol-4-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine?
The InChIKey is RBVMZRLAHFAQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2O/c1-4-15-39(16-5-1)41-27-31-44(32-28-41)59(45-33-29-42(30-34-45)40-17-6-2-7-18-40)46-35-36-55-52(37-46)58-48-22-11-10-21-47(48)51(38-56(58)61-55)49-24-14-26-54-57(49)50-23-12-13-25-53(50)60(54)43-19-8-3-9-20-43/h1-38H.
What are the key properties of 5-(9-phenylcarbazol-4-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine?
5-(9-phenylcarbazol-4-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 5-(9-phenylcarbazol-4-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine is sourced from PubChem (CID 176795838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).