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

C62H48N2O2 — CID 163664617

IUPAC4-[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
SMILESCC1CC=CC=C1N(C1=CC=C(c2ccc(N(c3ccccc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)CC1C)c1ccc(-c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C62H48N2O2/c1-41-14-6-9-23-57(41)64(50-37-30-45(31-38-50)52-20-13-22-56-54-18-8-11-25-60(54)66-62(52)56)58-39-32-46(40-42(58)2)43-26-33-48(34-27-43)63(47-15-4-3-5-16-47)49-35-28-44(29-36-49)51-19-12-21-55-53-17-7-10-24-59(53)65-61(51)55/h3-13,15-39,41-42H,14,40H2,1-2H3
InChIKeyIXIGWKZBUBWCPK-UHFFFAOYSA-N
MW853.08 g/mol
LogP17.58
Rot. Bonds9

About 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

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 (PubChem CID 163664617) has the molecular formula C62H48N2O2 and a molecular weight of 853.08 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID163664617
Molecular FormulaC62H48N2O2
Molecular Weight853.08 g/mol
Exact Mass852.37
IUPAC Name4-[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
SMILESCC1CC=CC=C1N(C1=CC=C(c2ccc(N(c3ccccc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)CC1C)c1ccc(-c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C62H48N2O2/c1-41-14-6-9-23-57(41)64(50-37-30-45(31-38-50)52-20-13-22-56-54-18-8-11-25-60(54)66-62(52)56)58-39-32-46(40-42(58)2)43-26-33-48(34-27-43)63(47-15-4-3-5-16-47)49-35-28-44(29-36-49)51-19-12-21-55-53-17-7-10-24-59(53)65-61(51)55/h3-13,15-39,41-42H,14,40H2,1-2H3
InChIKeyIXIGWKZBUBWCPK-UHFFFAOYSA-N
XLogP17.58
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.08
LogP ≤ 517.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CC=CC=C1N(C1=CC=C(c2ccc(N(c3ccccc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)CC1C)c1ccc(-c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of 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?
The InChIKey is IXIGWKZBUBWCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H48N2O2/c1-41-14-6-9-23-57(41)64(50-37-30-45(31-38-50)52-20-13-22-56-54-18-8-11-25-60(54)66-62(52)56)58-39-32-46(40-42(58)2)43-26-33-48(34-27-43)63(47-15-4-3-5-16-47)49-35-28-44(29-36-49)51-19-12-21-55-53-17-7-10-24-59(53)65-61(51)55/h3-13,15-39,41-42H,14,40H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 853.08 g/mol, XLogP of 17.58, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163664617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).