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

C48H31NO2 — CID 135277334

IUPAC2-dibenzofuran-3-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cc5oc6ccccc6c5cc4-c4ccc5c(c4)oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C48H31NO2/c1-3-11-32(12-4-1)33-19-21-34(22-20-33)35-23-26-38(27-24-35)49(37-13-5-2-6-14-37)44-31-48-43(40-16-8-10-18-46(40)51-48)30-42(44)36-25-28-41-39-15-7-9-17-45(39)50-47(41)29-36/h1-31H
InChIKeyGICORKUGSLCGBB-UHFFFAOYSA-N
MW653.78 g/mol
LogP13.96
Rot. Bonds6

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

2-dibenzofuran-3-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine (PubChem CID 135277334) has the molecular formula C48H31NO2 and a molecular weight of 653.78 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
PubChem CID135277334
Molecular FormulaC48H31NO2
Molecular Weight653.78 g/mol
Exact Mass653.24
IUPAC Name2-dibenzofuran-3-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cc5oc6ccccc6c5cc4-c4ccc5c(c4)oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C48H31NO2/c1-3-11-32(12-4-1)33-19-21-34(22-20-33)35-23-26-38(27-24-35)49(37-13-5-2-6-14-37)44-31-48-43(40-16-8-10-18-46(40)51-48)30-42(44)36-25-28-41-39-15-7-9-17-45(39)50-47(41)29-36/h1-31H
InChIKeyGICORKUGSLCGBB-UHFFFAOYSA-N
XLogP13.96
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.78
LogP ≤ 513.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-dibenzofuran-3-yl-4,6-diphenyl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
CID 118603848
N,4-diphenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]aniline
CID 135277320
4-phenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 135277321
4-dibenzofuran-3-yl-6-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;4-(3,4-diphenylphenyl)-6-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;4-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)-6-triphenylen-2-ylbenzene-1,3-diamine
CID 159052389
2-dibenzofuran-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 135277500
N-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 167086852
N-dibenzofuran-3-yl-N,17-diphenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-18-amine
CID 171433648
2-N-dibenzofuran-3-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-2,7-diamine
CID 146576058
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 167086964
8-N-dibenzofuran-3-yl-2-N,8-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,8-diamine
CID 146576028
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-diphenylaniline
CID 167086965
7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 174244796

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine?
The IUPAC name of 2-dibenzofuran-3-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine (CID 135277334) is 2-dibenzofuran-3-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for 2-dibenzofuran-3-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for 2-dibenzofuran-3-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cc5oc6ccccc6c5cc4-c4ccc5c(c4)oc4ccccc45)cc3)cc2)cc1.
What is the InChIKey of 2-dibenzofuran-3-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine?
The InChIKey is GICORKUGSLCGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NO2/c1-3-11-32(12-4-1)33-19-21-34(22-20-33)35-23-26-38(27-24-35)49(37-13-5-2-6-14-37)44-31-48-43(40-16-8-10-18-46(40)51-48)30-42(44)36-25-28-41-39-15-7-9-17-45(39)50-47(41)29-36/h1-31H.
What are the key properties of 2-dibenzofuran-3-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine?
2-dibenzofuran-3-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine has a molecular weight of 653.78 g/mol, XLogP of 13.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 135277334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).