(5S,6S)-5,6-bis(4-phenylphenyl)-1,10-phenanthroline-5,6-diol

C36H26N2O2 — CID 102167961

IUPAC(5S,6S)-5,6-bis(4-phenylphenyl)-1,10-phenanthroline-5,6-diol
SMILESO[C@@]1(c2ccc(-c3ccccc3)cc2)c2cccnc2-c2ncccc2[C@@]1(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C36H26N2O2/c39-35(29-19-15-27(16-20-29)25-9-3-1-4-10-25)31-13-7-23-37-33(31)34-32(14-8-24-38-34)36(35,40)30-21-17-28(18-22-30)26-11-5-2-6-12-26/h1-24,39-40H/t35-,36-/m0/s1
InChIKeyUJAFCCJDWRFCNQ-ZPGRZCPFSA-N
MW518.62 g/mol
LogP6.96
Rot. Bonds4

About (5S,6S)-5,6-bis(4-phenylphenyl)-1,10-phenanthroline-5,6-diol

(5S,6S)-5,6-bis(4-phenylphenyl)-1,10-phenanthroline-5,6-diol (PubChem CID 102167961) has the molecular formula C36H26N2O2 and a molecular weight of 518.62 g/mol. Its IUPAC name is (5S,6S)-5,6-bis(4-phenylphenyl)-1,10-phenanthroline-5,6-diol.

Molecular Properties

Compound Name(5S,6S)-5,6-bis(4-phenylphenyl)-1,10-phenanthroline-5,6-diol
PubChem CID102167961
Molecular FormulaC36H26N2O2
Molecular Weight518.62 g/mol
Exact Mass518.20
IUPAC Name(5S,6S)-5,6-bis(4-phenylphenyl)-1,10-phenanthroline-5,6-diol
SMILESO[C@@]1(c2ccc(-c3ccccc3)cc2)c2cccnc2-c2ncccc2[C@@]1(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C36H26N2O2/c39-35(29-19-15-27(16-20-29)25-9-3-1-4-10-25)31-13-7-23-37-33(31)34-32(14-8-24-38-34)36(35,40)30-21-17-28(18-22-30)26-11-5-2-6-12-26/h1-24,39-40H/t35-,36-/m0/s1
InChIKeyUJAFCCJDWRFCNQ-ZPGRZCPFSA-N
XLogP6.96
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.62
LogP ≤ 56.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-phenylphenyl)indeno[1,2-b]pyridin-5-ol
CID 59760565
8,8-bis(4-methylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58979966
spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,1'-cyclopropane]
CID 100944087
1-(4-phenylphenyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 54356816
2-phenyl-3-[2-[2-(2-phenyl-3-pyridinyl)phenyl]phenyl]pyridine
CID 58947757
(3aR,11bS)-3a,11b-dihydroxy-1,3-dihydroimidazo[4,5-f][1,10]phenanthrolin-2-one
CID 139074955
(2-phenyl-3-pyridinyl)carbamic acid
CID 67312997
2,4-bis(4-phenylphenyl)-6-[4-(3-phenyl-2-pyridinyl)phenyl]-1,3,5-triazine
CID 156692460
8-benzyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-amine
CID 10754733
benzene-1,2-diol;platinum;spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]
CID 59661482
4-(4-phenylphenyl)-2,3-dihydrochromen-4-ol
CID 164665329
4-[8-(4-methylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-N,N-bis[4-[8-(4-methylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]aniline
CID 122230126

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-5,6-bis(4-phenylphenyl)-1,10-phenanthroline-5,6-diol?
The IUPAC name of (5S,6S)-5,6-bis(4-phenylphenyl)-1,10-phenanthroline-5,6-diol (CID 102167961) is (5S,6S)-5,6-bis(4-phenylphenyl)-1,10-phenanthroline-5,6-diol.
What is the SMILES notation for (5S,6S)-5,6-bis(4-phenylphenyl)-1,10-phenanthroline-5,6-diol?
The canonical SMILES for (5S,6S)-5,6-bis(4-phenylphenyl)-1,10-phenanthroline-5,6-diol is O[C@@]1(c2ccc(-c3ccccc3)cc2)c2cccnc2-c2ncccc2[C@@]1(O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (5S,6S)-5,6-bis(4-phenylphenyl)-1,10-phenanthroline-5,6-diol?
The InChIKey is UJAFCCJDWRFCNQ-ZPGRZCPFSA-N. The full InChI is InChI=1S/C36H26N2O2/c39-35(29-19-15-27(16-20-29)25-9-3-1-4-10-25)31-13-7-23-37-33(31)34-32(14-8-24-38-34)36(35,40)30-21-17-28(18-22-30)26-11-5-2-6-12-26/h1-24,39-40H/t35-,36-/m0/s1.
What are the key properties of (5S,6S)-5,6-bis(4-phenylphenyl)-1,10-phenanthroline-5,6-diol?
(5S,6S)-5,6-bis(4-phenylphenyl)-1,10-phenanthroline-5,6-diol has a molecular weight of 518.62 g/mol, XLogP of 6.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-5,6-bis(4-phenylphenyl)-1,10-phenanthroline-5,6-diol is sourced from PubChem (CID 102167961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).