2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[1-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]dibenzofuran-1-yl]phenyl]aniline

C84H56N2O2 — CID 138481415

IUPAC2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[1-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]dibenzofuran-1-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4c(-c5ccc6oc7ccccc7c6c5-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccccc6-c6ccccc6)cc5)ccc5oc6ccccc6c45)cc3)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C84H56N2O2/c1-5-21-57(22-6-1)59-37-45-65(46-38-59)85(75-33-17-13-29-69(75)61-25-9-3-10-26-61)67-49-41-63(42-50-67)81-71(53-55-79-83(81)73-31-15-19-35-77(73)87-79)72-54-56-80-84(74-32-16-20-36-78(74)88-80)82(72)64-43-51-68(52-44-64)86(66-47-39-60(40-48-66)58-23-7-2-8-24-58)76-34-18-14-30-70(76)62-27-11-4-12-28-62/h1-56H
InChIKeyLQSQUEGPZLQVNB-UHFFFAOYSA-N
MW1125.38 g/mol
LogP24.09
Rot. Bonds13

About 2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[1-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]dibenzofuran-1-yl]phenyl]aniline

2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[1-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]dibenzofuran-1-yl]phenyl]aniline (PubChem CID 138481415) has the molecular formula C84H56N2O2 and a molecular weight of 1125.38 g/mol. Its IUPAC name is 2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[1-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]dibenzofuran-1-yl]phenyl]aniline.

Molecular Properties

Compound Name2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[1-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]dibenzofuran-1-yl]phenyl]aniline
PubChem CID138481415
Molecular FormulaC84H56N2O2
Molecular Weight1125.38 g/mol
Exact Mass1124.43
IUPAC Name2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[1-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]dibenzofuran-1-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4c(-c5ccc6oc7ccccc7c6c5-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccccc6-c6ccccc6)cc5)ccc5oc6ccccc6c45)cc3)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C84H56N2O2/c1-5-21-57(22-6-1)59-37-45-65(46-38-59)85(75-33-17-13-29-69(75)61-25-9-3-10-26-61)67-49-41-63(42-50-67)81-71(53-55-79-83(81)73-31-15-19-35-77(73)87-79)72-54-56-80-84(74-32-16-20-36-78(74)88-80)82(72)64-43-51-68(52-44-64)86(66-47-39-60(40-48-66)58-23-7-2-8-24-58)76-34-18-14-30-70(76)62-27-11-4-12-28-62/h1-56H
InChIKeyLQSQUEGPZLQVNB-UHFFFAOYSA-N
XLogP24.09
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001125.38
LogP ≤ 524.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[1-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]dibenzofuran-1-yl]phenyl]aniline 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

4-phenyl-N-[4-[4-[2-(1-phenyldibenzofuran-2-yl)dibenzofuran-1-yl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 138481521
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-bis(4-phenylphenyl)aniline
CID 138651234
N-[4-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-yl)phenyl]-N-phenyl-2-(4-phenylphenyl)aniline
CID 167121388
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-(3,4-diphenylphenyl)-1-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177281275
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186868
N-[4-(4-phenylphenyl)phenyl]-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172502864
N-(4-phenylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 168789991
N-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 167086852
2-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167128442
N-(4-dibenzofuran-1-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline
CID 168789602
N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-2-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]aniline
CID 167086977

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[1-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]dibenzofuran-1-yl]phenyl]aniline?
The IUPAC name of 2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[1-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]dibenzofuran-1-yl]phenyl]aniline (CID 138481415) is 2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[1-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]dibenzofuran-1-yl]phenyl]aniline.
What is the SMILES notation for 2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[1-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]dibenzofuran-1-yl]phenyl]aniline?
The canonical SMILES for 2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[1-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]dibenzofuran-1-yl]phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4c(-c5ccc6oc7ccccc7c6c5-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccccc6-c6ccccc6)cc5)ccc5oc6ccccc6c45)cc3)c3ccccc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[1-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]dibenzofuran-1-yl]phenyl]aniline?
The InChIKey is LQSQUEGPZLQVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H56N2O2/c1-5-21-57(22-6-1)59-37-45-65(46-38-59)85(75-33-17-13-29-69(75)61-25-9-3-10-26-61)67-49-41-63(42-50-67)81-71(53-55-79-83(81)73-31-15-19-35-77(73)87-79)72-54-56-80-84(74-32-16-20-36-78(74)88-80)82(72)64-43-51-68(52-44-64)86(66-47-39-60(40-48-66)58-23-7-2-8-24-58)76-34-18-14-30-70(76)62-27-11-4-12-28-62/h1-56H.
What are the key properties of 2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[1-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]dibenzofuran-1-yl]phenyl]aniline?
2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[1-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]dibenzofuran-1-yl]phenyl]aniline has a molecular weight of 1125.38 g/mol, XLogP of 24.09, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[1-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]dibenzofuran-1-yl]phenyl]aniline is sourced from PubChem (CID 138481415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).