2-[4-[4-(9,10-dihydroxyphenanthren-2-yl)phenyl]phenyl]phenanthrene-9,10-diol

C40H26O4 — CID 88935473

IUPAC2-[4-[4-(9,10-dihydroxyphenanthren-2-yl)phenyl]phenyl]phenanthrene-9,10-diol
SMILESOc1c(O)c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)c(O)c(O)c5ccccc56)cc4)cc3)ccc2c2ccccc12
InChIInChI=1S/C40H26O4/c41-37-33-7-3-1-5-29(33)31-19-17-27(21-35(31)39(37)43)25-13-9-23(10-14-25)24-11-15-26(16-12-24)28-18-20-32-30-6-2-4-8-34(30)38(42)40(44)36(32)22-28/h1-22,41-44H
InChIKeyYOGYIHOVUXNNBW-UHFFFAOYSA-N
MW570.64 g/mol
LogP10.12
Rot. Bonds3

About 2-[4-[4-(9,10-dihydroxyphenanthren-2-yl)phenyl]phenyl]phenanthrene-9,10-diol

2-[4-[4-(9,10-dihydroxyphenanthren-2-yl)phenyl]phenyl]phenanthrene-9,10-diol (PubChem CID 88935473) has the molecular formula C40H26O4 and a molecular weight of 570.64 g/mol. Its IUPAC name is 2-[4-[4-(9,10-dihydroxyphenanthren-2-yl)phenyl]phenyl]phenanthrene-9,10-diol.

Molecular Properties

Compound Name2-[4-[4-(9,10-dihydroxyphenanthren-2-yl)phenyl]phenyl]phenanthrene-9,10-diol
PubChem CID88935473
Molecular FormulaC40H26O4
Molecular Weight570.64 g/mol
Exact Mass570.18
IUPAC Name2-[4-[4-(9,10-dihydroxyphenanthren-2-yl)phenyl]phenyl]phenanthrene-9,10-diol
SMILESOc1c(O)c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)c(O)c(O)c5ccccc56)cc4)cc3)ccc2c2ccccc12
InChIInChI=1S/C40H26O4/c41-37-33-7-3-1-5-29(33)31-19-17-27(21-35(31)39(37)43)25-13-9-23(10-14-25)24-11-15-26(16-12-24)28-18-20-32-30-6-2-4-8-34(30)38(42)40(44)36(32)22-28/h1-22,41-44H
InChIKeyYOGYIHOVUXNNBW-UHFFFAOYSA-N
XLogP10.12
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.64
LogP ≤ 510.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-7-(3-phenylphenyl)triphenylene
CID 140787387
2-[3,5-bis(3,5-diphenylphenyl)phenyl]triphenylene
CID 167425355
2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene
CID 167425257
2,4-diphenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 118231237
ethane;methane;2-(4-methylphenyl)triphenylene
CID 144703361
6-[2,3,5,6-tetrahydroxy-4-(N-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]-4-triphenylen-2-ylanilino)phenyl]benzene-1,2,3,4,5-pentol
CID 144999368
2-[4-[3-methyl-5-(4-triphenylen-2-ylphenyl)phenyl]phenyl]triphenylene
CID 59841979
3-chrysen-3-yl-9-phenylchrysene
CID 140818401
CID 166569790
CID 166569790
2-phenyl-4-[4-[3-[3-[4-[4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-6-triphenylen-2-yl-1,3,5-triazine
CID 155380136
2-[3,5-di(triphenylen-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 129150891
4-triphenylen-2-ylbenzaldehyde
CID 58078284

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(9,10-dihydroxyphenanthren-2-yl)phenyl]phenyl]phenanthrene-9,10-diol?
The IUPAC name of 2-[4-[4-(9,10-dihydroxyphenanthren-2-yl)phenyl]phenyl]phenanthrene-9,10-diol (CID 88935473) is 2-[4-[4-(9,10-dihydroxyphenanthren-2-yl)phenyl]phenyl]phenanthrene-9,10-diol.
What is the SMILES notation for 2-[4-[4-(9,10-dihydroxyphenanthren-2-yl)phenyl]phenyl]phenanthrene-9,10-diol?
The canonical SMILES for 2-[4-[4-(9,10-dihydroxyphenanthren-2-yl)phenyl]phenyl]phenanthrene-9,10-diol is Oc1c(O)c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)c(O)c(O)c5ccccc56)cc4)cc3)ccc2c2ccccc12.
What is the InChIKey of 2-[4-[4-(9,10-dihydroxyphenanthren-2-yl)phenyl]phenyl]phenanthrene-9,10-diol?
The InChIKey is YOGYIHOVUXNNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26O4/c41-37-33-7-3-1-5-29(33)31-19-17-27(21-35(31)39(37)43)25-13-9-23(10-14-25)24-11-15-26(16-12-24)28-18-20-32-30-6-2-4-8-34(30)38(42)40(44)36(32)22-28/h1-22,41-44H.
What are the key properties of 2-[4-[4-(9,10-dihydroxyphenanthren-2-yl)phenyl]phenyl]phenanthrene-9,10-diol?
2-[4-[4-(9,10-dihydroxyphenanthren-2-yl)phenyl]phenyl]phenanthrene-9,10-diol has a molecular weight of 570.64 g/mol, XLogP of 10.12, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(9,10-dihydroxyphenanthren-2-yl)phenyl]phenyl]phenanthrene-9,10-diol is sourced from PubChem (CID 88935473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).