4-(4,8-diphenyldibenzofuran-2-yl)-N-phenylaniline

C36H25NO — CID 164934450

IUPAC4-(4,8-diphenyldibenzofuran-2-yl)-N-phenylaniline
SMILESc1ccc(Nc2ccc(-c3cc(-c4ccccc4)c4oc5ccc(-c6ccccc6)cc5c4c3)cc2)cc1
InChIInChI=1S/C36H25NO/c1-4-10-25(11-5-1)28-18-21-35-33(22-28)34-24-29(23-32(36(34)38-35)27-12-6-2-7-13-27)26-16-19-31(20-17-26)37-30-14-8-3-9-15-30/h1-24,37H
InChIKeyBQEMVNHZLGNNIM-UHFFFAOYSA-N
MW487.60 g/mol
LogP10.33
Rot. Bonds5

About 4-(4,8-diphenyldibenzofuran-2-yl)-N-phenylaniline

4-(4,8-diphenyldibenzofuran-2-yl)-N-phenylaniline (PubChem CID 164934450) has the molecular formula C36H25NO and a molecular weight of 487.60 g/mol. Its IUPAC name is 4-(4,8-diphenyldibenzofuran-2-yl)-N-phenylaniline.

Molecular Properties

Compound Name4-(4,8-diphenyldibenzofuran-2-yl)-N-phenylaniline
PubChem CID164934450
Molecular FormulaC36H25NO
Molecular Weight487.60 g/mol
Exact Mass487.19
IUPAC Name4-(4,8-diphenyldibenzofuran-2-yl)-N-phenylaniline
SMILESc1ccc(Nc2ccc(-c3cc(-c4ccccc4)c4oc5ccc(-c6ccccc6)cc5c4c3)cc2)cc1
InChIInChI=1S/C36H25NO/c1-4-10-25(11-5-1)28-18-21-35-33(22-28)34-24-29(23-32(36(34)38-35)27-12-6-2-7-13-27)26-16-19-31(20-17-26)37-30-14-8-3-9-15-30/h1-24,37H
InChIKeyBQEMVNHZLGNNIM-UHFFFAOYSA-N
XLogP10.33
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.60
LogP ≤ 510.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(6,8-diphenyldibenzofuran-2-yl)-N,N-diphenylaniline
CID 130208140
2-[4-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 70332183
N,2-diphenylnaphtho[2,3-b][1]benzofuran-6-amine
CID 126550567
2-[4-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyridine
CID 89369665
4-dibenzofuran-2-yl-N,3-bis(4-phenylphenyl)aniline
CID 164934515
2-[3-(2,8-diphenyldibenzofuran-4-yl)phenyl]pyridine
CID 153423338
6,11-bis[3-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 89417071
4-[6,8-bis[4-(N-phenylanilino)phenyl]dibenzofuran-2-yl]-N,N-diphenylaniline;prop-1-ene
CID 144810564
N-[4-(4-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]-N,4-diphenylaniline
CID 140919148
6-phenyl-2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 170187740
5-phenyl-16-(5-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene
CID 58004094
5,16-bis(8-phenyldibenzofuran-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;5-phenyl-16-(5-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;16-phenyl-5-(16-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;5-phenyl-16-[4-(5-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;16-phenyl-5-[4-(16-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene
CID 161042353

Frequently Asked Questions

What is the IUPAC name of 4-(4,8-diphenyldibenzofuran-2-yl)-N-phenylaniline?
The IUPAC name of 4-(4,8-diphenyldibenzofuran-2-yl)-N-phenylaniline (CID 164934450) is 4-(4,8-diphenyldibenzofuran-2-yl)-N-phenylaniline.
What is the SMILES notation for 4-(4,8-diphenyldibenzofuran-2-yl)-N-phenylaniline?
The canonical SMILES for 4-(4,8-diphenyldibenzofuran-2-yl)-N-phenylaniline is c1ccc(Nc2ccc(-c3cc(-c4ccccc4)c4oc5ccc(-c6ccccc6)cc5c4c3)cc2)cc1.
What is the InChIKey of 4-(4,8-diphenyldibenzofuran-2-yl)-N-phenylaniline?
The InChIKey is BQEMVNHZLGNNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25NO/c1-4-10-25(11-5-1)28-18-21-35-33(22-28)34-24-29(23-32(36(34)38-35)27-12-6-2-7-13-27)26-16-19-31(20-17-26)37-30-14-8-3-9-15-30/h1-24,37H.
What are the key properties of 4-(4,8-diphenyldibenzofuran-2-yl)-N-phenylaniline?
4-(4,8-diphenyldibenzofuran-2-yl)-N-phenylaniline has a molecular weight of 487.60 g/mol, XLogP of 10.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,8-diphenyldibenzofuran-2-yl)-N-phenylaniline is sourced from PubChem (CID 164934450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).