N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine

C42H27NO2 — CID 121241788

IUPACN-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5c4oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C42H27NO2/c1-2-9-28(10-3-1)29-17-19-30(20-18-29)31-21-23-32(24-22-31)43(33-25-26-36-34-11-4-6-15-39(34)44-41(36)27-33)38-14-8-13-37-35-12-5-7-16-40(35)45-42(37)38/h1-27H
InChIKeyPNLHLZGBDBGCJE-UHFFFAOYSA-N
MW577.68 g/mol
LogP12.29
Rot. Bonds5

About N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine

N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine (PubChem CID 121241788) has the molecular formula C42H27NO2 and a molecular weight of 577.68 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
PubChem CID121241788
Molecular FormulaC42H27NO2
Molecular Weight577.68 g/mol
Exact Mass577.20
IUPAC NameN-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5c4oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C42H27NO2/c1-2-9-28(10-3-1)29-17-19-30(20-18-29)31-21-23-32(24-22-31)43(33-25-26-36-34-11-4-6-15-39(34)44-41(36)27-33)38-14-8-13-37-35-12-5-7-16-40(35)45-42(37)38/h1-27H
InChIKeyPNLHLZGBDBGCJE-UHFFFAOYSA-N
XLogP12.29
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.68
LogP ≤ 512.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-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

7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 174244796
6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine
CID 162475564
N-dibenzofuran-3-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167144400
N-dibenzofuran-3-yl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167402059
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 168804045
N-[4-(3-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 168805436
N-dibenzofuran-3-yl-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyldibenzofuran-4-amine
CID 167397866
17-phenyl-N,N-bis(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-amine
CID 171050177
N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 71126918
N-dibenzofuran-3-yl-N-triphenylen-2-yldibenzofuran-4-amine
CID 166845761
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126595
N,17-diphenyl-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-amine
CID 171050051

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine (CID 121241788) is N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5c4oc4ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine?
The InChIKey is PNLHLZGBDBGCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NO2/c1-2-9-28(10-3-1)29-17-19-30(20-18-29)31-21-23-32(24-22-31)43(33-25-26-36-34-11-4-6-15-39(34)44-41(36)27-33)38-14-8-13-37-35-12-5-7-16-40(35)45-42(37)38/h1-27H.
What are the key properties of N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine?
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine has a molecular weight of 577.68 g/mol, XLogP of 12.29, 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-(4-phenylphenyl)phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 121241788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).