N-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)benzo[e]benzotriazol-8-amine

C40H26N4O — CID 164740360

IUPACN-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)benzo[e]benzotriazol-8-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(c2)oc2ccccc23)c2ccc3ccc4nn(-c5ccccc5)nc4c3c2)cc1
InChIInChI=1S/C40H26N4O/c1-3-11-27(12-4-1)32-15-7-9-17-37(32)43(31-22-23-34-33-16-8-10-18-38(33)45-39(34)26-31)30-21-19-28-20-24-36-40(35(28)25-30)42-44(41-36)29-13-5-2-6-14-29/h1-26H
InChIKeyKHMUVXRODGQSFN-UHFFFAOYSA-N
MW578.68 g/mol
LogP10.61
Rot. Bonds5

About N-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)benzo[e]benzotriazol-8-amine

N-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)benzo[e]benzotriazol-8-amine (PubChem CID 164740360) has the molecular formula C40H26N4O and a molecular weight of 578.68 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)benzo[e]benzotriazol-8-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)benzo[e]benzotriazol-8-amine
PubChem CID164740360
Molecular FormulaC40H26N4O
Molecular Weight578.68 g/mol
Exact Mass578.21
IUPAC NameN-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)benzo[e]benzotriazol-8-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(c2)oc2ccccc23)c2ccc3ccc4nn(-c5ccccc5)nc4c3c2)cc1
InChIInChI=1S/C40H26N4O/c1-3-11-27(12-4-1)32-15-7-9-17-37(32)43(31-22-23-34-33-16-8-10-18-38(33)45-39(34)26-31)30-21-19-28-20-24-36-40(35(28)25-30)42-44(41-36)29-13-5-2-6-14-29/h1-26H
InChIKeyKHMUVXRODGQSFN-UHFFFAOYSA-N
XLogP10.61
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.68
LogP ≤ 510.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)benzo[e]benzotriazol-8-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-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)naphtho[1,2-e]benzotriazol-10-amine
CID 164740322
N-dibenzofuran-1-yl-N,2-diphenylbenzo[e]benzotriazol-8-amine;N-dibenzofuran-3-yl-N,2-diphenylnaphtho[1,2-e]benzotriazol-10-amine;N-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)benzo[e]benzotriazol-8-amine;N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)benzo[e]benzotriazol-8-amine
CID 164956877
N-naphthalen-2-yl-N-[4-(2-phenylnaphtho[1,2-e]benzotriazol-9-yl)naphthalen-1-yl]dibenzofuran-3-amine
CID 170254578
N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 174256560
N-dibenzothiophen-3-yl-2-phenyl-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-e]benzotriazol-10-amine
CID 170254249
N-(2-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 167087254
N,N-bis[2-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311269
N-phenyl-N-[4-(2-phenylnaphtho[1,2-e]benzotriazol-9-yl)phenyl]dibenzofuran-2-amine
CID 170254580
N-dibenzofuran-2-yl-2-phenyl-N-(2-phenylphenyl)naphtho[2,1-g][1,3]benzothiazol-10-amine
CID 171607722
N-dibenzofuran-2-yl-11-phenyl-N-(2-phenylphenyl)benzo[a]carbazol-9-amine
CID 166847905
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 177082020
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

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)benzo[e]benzotriazol-8-amine?
The IUPAC name of N-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)benzo[e]benzotriazol-8-amine (CID 164740360) is N-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)benzo[e]benzotriazol-8-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)benzo[e]benzotriazol-8-amine?
The canonical SMILES for N-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)benzo[e]benzotriazol-8-amine is c1ccc(-c2ccccc2N(c2ccc3c(c2)oc2ccccc23)c2ccc3ccc4nn(-c5ccccc5)nc4c3c2)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)benzo[e]benzotriazol-8-amine?
The InChIKey is KHMUVXRODGQSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4O/c1-3-11-27(12-4-1)32-15-7-9-17-37(32)43(31-22-23-34-33-16-8-10-18-38(33)45-39(34)26-31)30-21-19-28-20-24-36-40(35(28)25-30)42-44(41-36)29-13-5-2-6-14-29/h1-26H.
What are the key properties of N-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)benzo[e]benzotriazol-8-amine?
N-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)benzo[e]benzotriazol-8-amine has a molecular weight of 578.68 g/mol, XLogP of 10.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)benzo[e]benzotriazol-8-amine is sourced from PubChem (CID 164740360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).