[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-methoxyanilino]phenyl]phenyl]anilino]phenyl]methanol

C50H44N2O2 — CID 59148670

IUPAC[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-methoxyanilino]phenyl]phenyl]anilino]phenyl]methanol
SMILESCOc1ccc(N(c2ccc(-c3ccc(-c4ccc(N(c5ccc(CO)cc5)c5ccc6c(c5)CCC6)cc4)cc3)cc2)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C50H44N2O2/c1-54-50-30-28-47(29-31-50)52(49-27-19-37-5-3-7-43(37)33-49)46-24-16-41(17-25-46)39-12-10-38(11-13-39)40-14-22-45(23-15-40)51(44-20-8-35(34-53)9-21-44)48-26-18-36-4-2-6-42(36)32-48/h8-33,53H,2-7,34H2,1H3
InChIKeyVHSLCUQIKYUWEG-UHFFFAOYSA-N
MW704.91 g/mol
LogP12.44
Rot. Bonds10

About [4-[N-(2,3-dihydro-1H-inden-5-yl)-4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-methoxyanilino]phenyl]phenyl]anilino]phenyl]methanol

[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-methoxyanilino]phenyl]phenyl]anilino]phenyl]methanol (PubChem CID 59148670) has the molecular formula C50H44N2O2 and a molecular weight of 704.91 g/mol. Its IUPAC name is [4-[N-(2,3-dihydro-1H-inden-5-yl)-4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-methoxyanilino]phenyl]phenyl]anilino]phenyl]methanol.

Molecular Properties

Compound Name[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-methoxyanilino]phenyl]phenyl]anilino]phenyl]methanol
PubChem CID59148670
Molecular FormulaC50H44N2O2
Molecular Weight704.91 g/mol
Exact Mass704.34
IUPAC Name[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-methoxyanilino]phenyl]phenyl]anilino]phenyl]methanol
SMILESCOc1ccc(N(c2ccc(-c3ccc(-c4ccc(N(c5ccc(CO)cc5)c5ccc6c(c5)CCC6)cc4)cc3)cc2)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C50H44N2O2/c1-54-50-30-28-47(29-31-50)52(49-27-19-37-5-3-7-43(37)33-49)46-24-16-41(17-25-46)39-12-10-38(11-13-39)40-14-22-45(23-15-40)51(44-20-8-35(34-53)9-21-44)48-26-18-36-4-2-6-42(36)32-48/h8-33,53H,2-7,34H2,1H3
InChIKeyVHSLCUQIKYUWEG-UHFFFAOYSA-N
XLogP12.44
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.91
LogP ≤ 512.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[N-(2,3-dihydro-1H-inden-5-yl)-4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-methoxyanilino]phenyl]phenyl]anilino]phenyl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[N-(2,3-dihydro-1H-inden-5-yl)-4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-methoxyanilino]phenyl]phenyl]anilino]phenyl]methanol?
The IUPAC name of [4-[N-(2,3-dihydro-1H-inden-5-yl)-4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-methoxyanilino]phenyl]phenyl]anilino]phenyl]methanol (CID 59148670) is [4-[N-(2,3-dihydro-1H-inden-5-yl)-4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-methoxyanilino]phenyl]phenyl]anilino]phenyl]methanol.
What is the SMILES notation for [4-[N-(2,3-dihydro-1H-inden-5-yl)-4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-methoxyanilino]phenyl]phenyl]anilino]phenyl]methanol?
The canonical SMILES for [4-[N-(2,3-dihydro-1H-inden-5-yl)-4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-methoxyanilino]phenyl]phenyl]anilino]phenyl]methanol is COc1ccc(N(c2ccc(-c3ccc(-c4ccc(N(c5ccc(CO)cc5)c5ccc6c(c5)CCC6)cc4)cc3)cc2)c2ccc3c(c2)CCC3)cc1.
What is the InChIKey of [4-[N-(2,3-dihydro-1H-inden-5-yl)-4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-methoxyanilino]phenyl]phenyl]anilino]phenyl]methanol?
The InChIKey is VHSLCUQIKYUWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H44N2O2/c1-54-50-30-28-47(29-31-50)52(49-27-19-37-5-3-7-43(37)33-49)46-24-16-41(17-25-46)39-12-10-38(11-13-39)40-14-22-45(23-15-40)51(44-20-8-35(34-53)9-21-44)48-26-18-36-4-2-6-42(36)32-48/h8-33,53H,2-7,34H2,1H3.
What are the key properties of [4-[N-(2,3-dihydro-1H-inden-5-yl)-4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-methoxyanilino]phenyl]phenyl]anilino]phenyl]methanol?
[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-methoxyanilino]phenyl]phenyl]anilino]phenyl]methanol has a molecular weight of 704.91 g/mol, XLogP of 12.44, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[N-(2,3-dihydro-1H-inden-5-yl)-4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-methoxyanilino]phenyl]phenyl]anilino]phenyl]methanol is sourced from PubChem (CID 59148670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).