N-(2,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine

C54H37NO — CID 174254314

IUPACN-(2,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4-c4ccccc4)cc3)c3ccc4c(c3)oc3ccccc34)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C54H37NO/c1-4-16-38(17-5-1)42-30-35-52(51(36-42)40-20-8-3-9-21-40)55(44-33-34-50-49-26-14-15-27-53(49)56-54(50)37-44)43-31-28-41(29-32-43)46-23-11-13-25-48(46)47-24-12-10-22-45(47)39-18-6-2-7-19-39/h1-37H
InChIKeyPABGHHRKMXIMGQ-UHFFFAOYSA-N
MW715.90 g/mol
LogP15.39
Rot. Bonds8

About N-(2,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine

N-(2,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine (PubChem CID 174254314) has the molecular formula C54H37NO and a molecular weight of 715.90 g/mol. Its IUPAC name is N-(2,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(2,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
PubChem CID174254314
Molecular FormulaC54H37NO
Molecular Weight715.90 g/mol
Exact Mass715.29
IUPAC NameN-(2,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4-c4ccccc4)cc3)c3ccc4c(c3)oc3ccccc34)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C54H37NO/c1-4-16-38(17-5-1)42-30-35-52(51(36-42)40-20-8-3-9-21-40)55(44-33-34-50-49-26-14-15-27-53(49)56-54(50)37-44)43-31-28-41(29-32-43)46-23-11-13-25-48(46)47-24-12-10-22-45(47)39-18-6-2-7-19-39/h1-37H
InChIKeyPABGHHRKMXIMGQ-UHFFFAOYSA-N
XLogP15.39
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.90
LogP ≤ 515.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-phenylphenyl)-N-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 155122912
N-dibenzofuran-3-yl-N-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 155122906
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
N-(4-phenylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 172501001
N-(4-dibenzofuran-3-ylphenyl)-2-[2-(2,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 172501306
N-(4-phenylphenyl)-N-[2-phenyl-4-(2-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 155122863
N-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 167086852
3-N-dibenzofuran-3-yl-4,6-diphenyl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
CID 118603848
N-[2-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 168789729
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-(4-phenanthren-9-yl-2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 154950525

Frequently Asked Questions

What is the IUPAC name of N-(2,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine?
The IUPAC name of N-(2,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine (CID 174254314) is N-(2,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-(2,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-(2,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4-c4ccccc4)cc3)c3ccc4c(c3)oc3ccccc34)c(-c3ccccc3)c2)cc1.
What is the InChIKey of N-(2,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine?
The InChIKey is PABGHHRKMXIMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37NO/c1-4-16-38(17-5-1)42-30-35-52(51(36-42)40-20-8-3-9-21-40)55(44-33-34-50-49-26-14-15-27-53(49)56-54(50)37-44)43-31-28-41(29-32-43)46-23-11-13-25-48(46)47-24-12-10-22-45(47)39-18-6-2-7-19-39/h1-37H.
What are the key properties of N-(2,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine?
N-(2,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine has a molecular weight of 715.90 g/mol, XLogP of 15.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 174254314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).