N-(2-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine

C60H42N2O — CID 167087254

IUPACN-(2-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(c2)oc2ccccc23)c2ccccc2-c2ccccc2N(c2ccccc2-c2ccccc2)c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C60H42N2O/c1-4-22-43(23-5-1)47-28-10-16-34-54(47)61(46-40-41-53-52-33-15-21-39-59(52)63-60(53)42-46)57-37-19-13-31-50(57)51-32-14-20-38-58(51)62(55-35-17-11-29-48(55)44-24-6-2-7-25-44)56-36-18-12-30-49(56)45-26-8-3-9-27-45/h1-42H
InChIKeyGVZADLZWVNJYOR-UHFFFAOYSA-N
MW807.01 g/mol
LogP17.19
Rot. Bonds10

About N-(2-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine

N-(2-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine (PubChem CID 167087254) has the molecular formula C60H42N2O and a molecular weight of 807.01 g/mol. Its IUPAC name is N-(2-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(2-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
PubChem CID167087254
Molecular FormulaC60H42N2O
Molecular Weight807.01 g/mol
Exact Mass806.33
IUPAC NameN-(2-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(c2)oc2ccccc23)c2ccccc2-c2ccccc2N(c2ccccc2-c2ccccc2)c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C60H42N2O/c1-4-22-43(23-5-1)47-28-10-16-34-54(47)61(46-40-41-53-52-33-15-21-39-59(52)63-60(53)42-46)57-37-19-13-31-50(57)51-32-14-20-38-58(51)62(55-35-17-11-29-48(55)44-24-6-2-7-25-44)56-36-18-12-30-49(56)45-26-8-3-9-27-45/h1-42H
InChIKeyGVZADLZWVNJYOR-UHFFFAOYSA-N
XLogP17.19
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.01
LogP ≤ 517.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis[2-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311269
N-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 167086852
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-[2-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 167087101
N-(2-naphthalen-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 170301571
N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 167330637
N-[2-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 168789729
5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(2-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 121260528
N-(4-phenylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 168789991
N-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-4-amine
CID 170032953
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

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine?
The IUPAC name of N-(2-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine (CID 167087254) is N-(2-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-(2-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-(2-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine is c1ccc(-c2ccccc2N(c2ccc3c(c2)oc2ccccc23)c2ccccc2-c2ccccc2N(c2ccccc2-c2ccccc2)c2ccccc2-c2ccccc2)cc1.
What is the InChIKey of N-(2-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine?
The InChIKey is GVZADLZWVNJYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2O/c1-4-22-43(23-5-1)47-28-10-16-34-54(47)61(46-40-41-53-52-33-15-21-39-59(52)63-60(53)42-46)57-37-19-13-31-50(57)51-32-14-20-38-58(51)62(55-35-17-11-29-48(55)44-24-6-2-7-25-44)56-36-18-12-30-49(56)45-26-8-3-9-27-45/h1-42H.
What are the key properties of N-(2-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine?
N-(2-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine has a molecular weight of 807.01 g/mol, XLogP of 17.19, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 167087254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).