4-[2,6-diphenyl-3-[4-(N-phenylanilino)phenyl]furo[2,3-f][1]benzofuran-7-yl]-N,N-diphenylaniline

C58H40N2O2 — CID 23643888

IUPAC4-[2,6-diphenyl-3-[4-(N-phenylanilino)phenyl]furo[2,3-f][1]benzofuran-7-yl]-N,N-diphenylaniline
SMILESc1ccc(-c2oc3cc4c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c(-c5ccccc5)oc4cc3c2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C58H40N2O2/c1-7-19-43(20-8-1)57-55(41-31-35-49(36-32-41)59(45-23-11-3-12-24-45)46-25-13-4-14-26-46)51-39-54-52(40-53(51)61-57)56(58(62-54)44-21-9-2-10-22-44)42-33-37-50(38-34-42)60(47-27-15-5-16-28-47)48-29-17-6-18-30-48/h1-40H
InChIKeyKOSUBZRZUQYELA-UHFFFAOYSA-N
MW796.97 g/mol
LogP16.79
Rot. Bonds10

About 4-[2,6-diphenyl-3-[4-(N-phenylanilino)phenyl]furo[2,3-f][1]benzofuran-7-yl]-N,N-diphenylaniline

4-[2,6-diphenyl-3-[4-(N-phenylanilino)phenyl]furo[2,3-f][1]benzofuran-7-yl]-N,N-diphenylaniline (PubChem CID 23643888) has the molecular formula C58H40N2O2 and a molecular weight of 796.97 g/mol. Its IUPAC name is 4-[2,6-diphenyl-3-[4-(N-phenylanilino)phenyl]furo[2,3-f][1]benzofuran-7-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[2,6-diphenyl-3-[4-(N-phenylanilino)phenyl]furo[2,3-f][1]benzofuran-7-yl]-N,N-diphenylaniline
PubChem CID23643888
Molecular FormulaC58H40N2O2
Molecular Weight796.97 g/mol
Exact Mass796.31
IUPAC Name4-[2,6-diphenyl-3-[4-(N-phenylanilino)phenyl]furo[2,3-f][1]benzofuran-7-yl]-N,N-diphenylaniline
SMILESc1ccc(-c2oc3cc4c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c(-c5ccccc5)oc4cc3c2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C58H40N2O2/c1-7-19-43(20-8-1)57-55(41-31-35-49(36-32-41)59(45-23-11-3-12-24-45)46-25-13-4-14-26-46)51-39-54-52(40-53(51)61-57)56(58(62-54)44-21-9-2-10-22-44)42-33-37-50(38-34-42)60(47-27-15-5-16-28-47)48-29-17-6-18-30-48/h1-40H
InChIKeyKOSUBZRZUQYELA-UHFFFAOYSA-N
XLogP16.79
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.97
LogP ≤ 516.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2,6-diphenyl-3-[4-(N-phenylanilino)phenyl]furo[2,3-f][1]benzofuran-7-yl]-N,N-diphenylaniline with MolForge

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Related Compounds

4-(2-(5-methoxybenzofuran-2-yl)vinyl)-N,N-dimethylbenzenamine
CID 44548343
Czbdf
CID 91972134
3,6-Di(dibenzofuran-4-yl)-9-phenyl-4,4a-dihydrocarbazole
CID 134222984
8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(2-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,24,26-dodecaene-8,23-diamine
CID 163646874
N-phenyl-N-(4-phenylbenzene-5-id-1-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-amine;uranium(2+)
CID 163657084
4-[4-(4-dibenzofuran-4-yl-N-(6-methylcyclohexa-1,3-dien-1-yl)anilino)-5-methylcyclohexa-1,3-dien-1-yl]-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline
CID 163664617
(Z)-3-[17-[(Z)-2-isocyano-2-[4-(trifluoromethyl)phenyl]ethenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]-2-(4-methylphenyl)prop-2-enenitrile
CID 58029044
4-[2-[2-[4-(5-fluoro-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline
CID 70908841
6-[9-[4,8-difluoro-2-(N-phenylanilino)furo[2,3-f][1]benzofuran-6-yl]-1,2,3,6,7,8-hexahydropyren-4-yl]-4,8-difluoro-N,N-diphenylfuro[2,3-f][1]benzofuran-2-amine
CID 89566729
N-[4-(7-fluorodibenzofuran-3-yl)phenyl]-N,4-diphenylaniline
CID 118186809
3-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(trifluoromethyl)phenyl]phenyl]aniline
CID 118428375
3-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-fluorophenyl)phenyl]aniline
CID 118428378

Frequently Asked Questions

What is the IUPAC name of 4-[2,6-diphenyl-3-[4-(N-phenylanilino)phenyl]furo[2,3-f][1]benzofuran-7-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[2,6-diphenyl-3-[4-(N-phenylanilino)phenyl]furo[2,3-f][1]benzofuran-7-yl]-N,N-diphenylaniline (CID 23643888) is 4-[2,6-diphenyl-3-[4-(N-phenylanilino)phenyl]furo[2,3-f][1]benzofuran-7-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[2,6-diphenyl-3-[4-(N-phenylanilino)phenyl]furo[2,3-f][1]benzofuran-7-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[2,6-diphenyl-3-[4-(N-phenylanilino)phenyl]furo[2,3-f][1]benzofuran-7-yl]-N,N-diphenylaniline is c1ccc(-c2oc3cc4c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c(-c5ccccc5)oc4cc3c2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[2,6-diphenyl-3-[4-(N-phenylanilino)phenyl]furo[2,3-f][1]benzofuran-7-yl]-N,N-diphenylaniline?
The InChIKey is KOSUBZRZUQYELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2O2/c1-7-19-43(20-8-1)57-55(41-31-35-49(36-32-41)59(45-23-11-3-12-24-45)46-25-13-4-14-26-46)51-39-54-52(40-53(51)61-57)56(58(62-54)44-21-9-2-10-22-44)42-33-37-50(38-34-42)60(47-27-15-5-16-28-47)48-29-17-6-18-30-48/h1-40H.
What are the key properties of 4-[2,6-diphenyl-3-[4-(N-phenylanilino)phenyl]furo[2,3-f][1]benzofuran-7-yl]-N,N-diphenylaniline?
4-[2,6-diphenyl-3-[4-(N-phenylanilino)phenyl]furo[2,3-f][1]benzofuran-7-yl]-N,N-diphenylaniline has a molecular weight of 796.97 g/mol, XLogP of 16.79, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-diphenyl-3-[4-(N-phenylanilino)phenyl]furo[2,3-f][1]benzofuran-7-yl]-N,N-diphenylaniline is sourced from PubChem (CID 23643888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).