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

C46H29NO2 — CID 170032953

IUPACN-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-4-amine
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4c3ccc3oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C46H29NO2/c1-2-11-30(12-3-1)34-13-4-5-14-35(34)31-21-23-32(24-22-31)47(33-25-26-38-37-15-6-8-19-42(37)49-45(38)29-33)41-18-10-17-39-36(41)27-28-44-46(39)40-16-7-9-20-43(40)48-44/h1-29H
InChIKeyCLLPURCCRWBWSZ-UHFFFAOYSA-N
MW627.74 g/mol
LogP13.44
Rot. Bonds5

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

N-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-4-amine (PubChem CID 170032953) has the molecular formula C46H29NO2 and a molecular weight of 627.74 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-4-amine
PubChem CID170032953
Molecular FormulaC46H29NO2
Molecular Weight627.74 g/mol
Exact Mass627.22
IUPAC NameN-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-4-amine
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4c3ccc3oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C46H29NO2/c1-2-11-30(12-3-1)34-13-4-5-14-35(34)31-21-23-32(24-22-31)47(33-25-26-38-37-15-6-8-19-42(37)49-45(38)29-33)41-18-10-17-39-36(41)27-28-44-46(39)40-16-7-9-20-43(40)48-44/h1-29H
InChIKeyCLLPURCCRWBWSZ-UHFFFAOYSA-N
XLogP13.44
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.74
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-4-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

N-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 167086852
N-(4-phenylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 168789991
N-(2,3-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 174254313
N-dibenzofuran-2-yl-N-(3,4-diphenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine
CID 170032999
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 174322022
N-[2-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 168789729
N-phenyl-N-[2-[4-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 172501488
N-(4-dibenzofuran-3-ylphenyl)-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 172503158
3-N-dibenzofuran-3-yl-4,6-diphenyl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
CID 118603848
N-(4-phenylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 172501001
N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine
CID 170031061
N-dibenzofuran-3-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzofuran-3-amine
CID 71126774

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-4-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-4-amine (CID 170032953) is N-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-4-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-4-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-4-amine is c1ccc(-c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4c3ccc3oc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-4-amine?
The InChIKey is CLLPURCCRWBWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO2/c1-2-11-30(12-3-1)34-13-4-5-14-35(34)31-21-23-32(24-22-31)47(33-25-26-38-37-15-6-8-19-42(37)49-45(38)29-33)41-18-10-17-39-36(41)27-28-44-46(39)40-16-7-9-20-43(40)48-44/h1-29H.
What are the key properties of N-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-4-amine?
N-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-4-amine has a molecular weight of 627.74 g/mol, XLogP of 13.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-4-amine is sourced from PubChem (CID 170032953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).