2-[4-(3H-indol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine

C54H36N2O — CID 171754676

IUPAC2-[4-(3H-indol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4ccc5c6ccccc6oc5c4cc3-c3ccc(C4=Nc5ccccc5C4)cc3)cc2)cc1
InChIInChI=1S/C54H36N2O/c1-3-11-36(12-4-1)38-23-28-44(29-24-38)56(45-30-25-39(26-31-45)37-13-5-2-6-14-37)52-34-42-27-32-47-46-16-8-10-18-53(46)57-54(47)49(42)35-48(52)40-19-21-41(22-20-40)51-33-43-15-7-9-17-50(43)55-51/h1-32,34-35H,33H2
InChIKeyDAKSZIRKGSYSAM-UHFFFAOYSA-N
MW728.90 g/mol
LogP14.89
Rot. Bonds7

About 2-[4-(3H-indol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine

2-[4-(3H-indol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine (PubChem CID 171754676) has the molecular formula C54H36N2O and a molecular weight of 728.90 g/mol. Its IUPAC name is 2-[4-(3H-indol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine.

Molecular Properties

Compound Name2-[4-(3H-indol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine
PubChem CID171754676
Molecular FormulaC54H36N2O
Molecular Weight728.90 g/mol
Exact Mass728.28
IUPAC Name2-[4-(3H-indol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4ccc5c6ccccc6oc5c4cc3-c3ccc(C4=Nc5ccccc5C4)cc3)cc2)cc1
InChIInChI=1S/C54H36N2O/c1-3-11-36(12-4-1)38-23-28-44(29-24-38)56(45-30-25-39(26-31-45)37-13-5-2-6-14-37)52-34-42-27-32-47-46-16-8-10-18-53(46)57-54(47)49(42)35-48(52)40-19-21-41(22-20-40)51-33-43-15-7-9-17-50(43)55-51/h1-32,34-35H,33H2
InChIKeyDAKSZIRKGSYSAM-UHFFFAOYSA-N
XLogP14.89
TPSA28.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.90
LogP ≤ 514.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-(3H-indol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-(3H-indol-2-yl)-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine
CID 171754212
9-(3H-indol-2-yl)-N-(6-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine
CID 171754416
N-phenyl-N,9-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 170243077
5,9-diphenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 171752136
N,N-bis(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-2-amine
CID 170272646
N-(4-benzo[c]phenanthren-5-ylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine
CID 167181692
11-phenyl-N,N-bis(4-phenylphenyl)-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaen-14-amine
CID 166569969
N-[4-[4-(N-dibenzofuran-4-yl-4-phenylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 146582246
N,4-diphenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-e][1,3]benzoxazol-4-yl)phenyl]aniline
CID 176851605
N-naphthalen-2-yl-5,9-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 167252565
N-dibenzofuran-4-yl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167403132
3-N-dibenzofuran-3-yl-4,6-diphenyl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
CID 118603848

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3H-indol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine?
The IUPAC name of 2-[4-(3H-indol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine (CID 171754676) is 2-[4-(3H-indol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine.
What is the SMILES notation for 2-[4-(3H-indol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine?
The canonical SMILES for 2-[4-(3H-indol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4ccc5c6ccccc6oc5c4cc3-c3ccc(C4=Nc5ccccc5C4)cc3)cc2)cc1.
What is the InChIKey of 2-[4-(3H-indol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine?
The InChIKey is DAKSZIRKGSYSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2O/c1-3-11-36(12-4-1)38-23-28-44(29-24-38)56(45-30-25-39(26-31-45)37-13-5-2-6-14-37)52-34-42-27-32-47-46-16-8-10-18-53(46)57-54(47)49(42)35-48(52)40-19-21-41(22-20-40)51-33-43-15-7-9-17-50(43)55-51/h1-32,34-35H,33H2.
What are the key properties of 2-[4-(3H-indol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine?
2-[4-(3H-indol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine has a molecular weight of 728.90 g/mol, XLogP of 14.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3H-indol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine is sourced from PubChem (CID 171754676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).