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

C48H33NO — CID 172501488

IUPACN-phenyl-N-[2-[4-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccccc3)c3ccc4c(c3)oc3ccccc34)c(-c3ccccc3-c3ccccc3)c2)cc1
InChIInChI=1S/C48H33NO/c1-4-16-34(17-5-1)36-28-30-41(45(32-36)40-23-11-10-22-39(40)35-18-6-2-7-19-35)42-24-12-14-26-46(42)49(37-20-8-3-9-21-37)38-29-31-44-43-25-13-15-27-47(43)50-48(44)33-38/h1-33H
InChIKeyLTYNPCIZDBQBJO-UHFFFAOYSA-N
MW639.80 g/mol
LogP13.72
Rot. Bonds7

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

N-phenyl-N-[2-[4-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine (PubChem CID 172501488) has the molecular formula C48H33NO and a molecular weight of 639.80 g/mol. Its IUPAC name is N-phenyl-N-[2-[4-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-phenyl-N-[2-[4-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
PubChem CID172501488
Molecular FormulaC48H33NO
Molecular Weight639.80 g/mol
Exact Mass639.26
IUPAC NameN-phenyl-N-[2-[4-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccccc3)c3ccc4c(c3)oc3ccccc34)c(-c3ccccc3-c3ccccc3)c2)cc1
InChIInChI=1S/C48H33NO/c1-4-16-34(17-5-1)36-28-30-41(45(32-36)40-23-11-10-22-39(40)35-18-6-2-7-19-35)42-24-12-14-26-46(42)49(37-20-8-3-9-21-37)38-29-31-44-43-25-13-15-27-47(43)50-48(44)33-38/h1-33H
InChIKeyLTYNPCIZDBQBJO-UHFFFAOYSA-N
XLogP13.72
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.80
LogP ≤ 513.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-3-ylphenyl)-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 172503158
N-(4-dibenzofuran-3-ylphenyl)-2-[2-(2,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 172501306
N-[4-(4-phenylphenyl)phenyl]-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172502864
N-(2,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 174254314
N-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 167086852
N-(4-dibenzofuran-3-ylphenyl)-N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172502132
N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 172502499
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-phenylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 168789991
N-(4-dibenzofuran-1-ylphenyl)-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172503032
N-(3-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-2-[5-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 172501323
N-(3-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[5-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 172501677

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[2-[4-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine?
The IUPAC name of N-phenyl-N-[2-[4-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine (CID 172501488) is N-phenyl-N-[2-[4-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-phenyl-N-[2-[4-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-phenyl-N-[2-[4-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine is c1ccc(-c2ccc(-c3ccccc3N(c3ccccc3)c3ccc4c(c3)oc3ccccc34)c(-c3ccccc3-c3ccccc3)c2)cc1.
What is the InChIKey of N-phenyl-N-[2-[4-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine?
The InChIKey is LTYNPCIZDBQBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NO/c1-4-16-34(17-5-1)36-28-30-41(45(32-36)40-23-11-10-22-39(40)35-18-6-2-7-19-35)42-24-12-14-26-46(42)49(37-20-8-3-9-21-37)38-29-31-44-43-25-13-15-27-47(43)50-48(44)33-38/h1-33H.
What are the key properties of N-phenyl-N-[2-[4-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine?
N-phenyl-N-[2-[4-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine has a molecular weight of 639.80 g/mol, XLogP of 13.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[2-[4-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 172501488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).