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

C43H31NO — CID 138488713

IUPACN-(3-methyl-4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
SMILESCc1cc(N(c2ccc(-c3cccc(-c4ccccc4)c3)cc2)c2ccc3oc4ccccc4c3c2)ccc1-c1ccccc1
InChIInChI=1S/C43H31NO/c1-30-27-37(23-25-39(30)33-13-6-3-7-14-33)44(38-24-26-43-41(29-38)40-17-8-9-18-42(40)45-43)36-21-19-32(20-22-36)35-16-10-15-34(28-35)31-11-4-2-5-12-31/h2-29H,1H3
InChIKeyQVLUSBUEDMTXPL-UHFFFAOYSA-N
MW577.73 g/mol
LogP12.37
Rot. Bonds6

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

N-(3-methyl-4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine (PubChem CID 138488713) has the molecular formula C43H31NO and a molecular weight of 577.73 g/mol. Its IUPAC name is N-(3-methyl-4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(3-methyl-4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
PubChem CID138488713
Molecular FormulaC43H31NO
Molecular Weight577.73 g/mol
Exact Mass577.24
IUPAC NameN-(3-methyl-4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
SMILESCc1cc(N(c2ccc(-c3cccc(-c4ccccc4)c3)cc2)c2ccc3oc4ccccc4c3c2)ccc1-c1ccccc1
InChIInChI=1S/C43H31NO/c1-30-27-37(23-25-39(30)33-13-6-3-7-14-33)44(38-24-26-43-41(29-38)40-17-8-9-18-42(40)45-43)36-21-19-32(20-22-36)35-16-10-15-34(28-35)31-11-4-2-5-12-31/h2-29H,1H3
InChIKeyQVLUSBUEDMTXPL-UHFFFAOYSA-N
XLogP12.37
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.73
LogP ≤ 512.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-dibenzofuran-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 121325419
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 118405736
3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 121327922
3-[4-[2,4-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 121449953
N-(4-dibenzofuran-2-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 90350985
3-N-dibenzofuran-2-yl-1-N,1-N,3-N,5-N,5-N-pentakis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118605058
N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 174245859
N-dibenzofuran-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 170301400
N-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 121296561
N-[4-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 121296581
N-(4-phenylphenyl)-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 160832647
N-[4-[3-(4-phenylphenyl)phenyl]phenyl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 121311288

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine?
The IUPAC name of N-(3-methyl-4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine (CID 138488713) is N-(3-methyl-4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine.
What is the SMILES notation for N-(3-methyl-4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine?
The canonical SMILES for N-(3-methyl-4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine is Cc1cc(N(c2ccc(-c3cccc(-c4ccccc4)c3)cc2)c2ccc3oc4ccccc4c3c2)ccc1-c1ccccc1.
What is the InChIKey of N-(3-methyl-4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine?
The InChIKey is QVLUSBUEDMTXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31NO/c1-30-27-37(23-25-39(30)33-13-6-3-7-14-33)44(38-24-26-43-41(29-38)40-17-8-9-18-42(40)45-43)36-21-19-32(20-22-36)35-16-10-15-34(28-35)31-11-4-2-5-12-31/h2-29H,1H3.
What are the key properties of N-(3-methyl-4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine?
N-(3-methyl-4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine has a molecular weight of 577.73 g/mol, XLogP of 12.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 138488713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).