6-(10-phenanthren-3-ylanthracen-9-yl)benzene-1,2,3,4,5-pentol

C34H22O5 — CID 155392957

IUPAC6-(10-phenanthren-3-ylanthracen-9-yl)benzene-1,2,3,4,5-pentol
SMILESOc1c(O)c(O)c(-c2c3ccccc3c(-c3ccc4ccc5ccccc5c4c3)c3ccccc23)c(O)c1O
InChIInChI=1S/C34H22O5/c35-30-29(31(36)33(38)34(39)32(30)37)28-24-11-5-3-9-22(24)27(23-10-4-6-12-25(23)28)20-16-15-19-14-13-18-7-1-2-8-21(18)26(19)17-20/h1-17,35-39H
InChIKeyCETAJBBHBGOPQZ-UHFFFAOYSA-N
MW510.55 g/mol
LogP8.16
Rot. Bonds2

About 6-(10-phenanthren-3-ylanthracen-9-yl)benzene-1,2,3,4,5-pentol

6-(10-phenanthren-3-ylanthracen-9-yl)benzene-1,2,3,4,5-pentol (PubChem CID 155392957) has the molecular formula C34H22O5 and a molecular weight of 510.55 g/mol. Its IUPAC name is 6-(10-phenanthren-3-ylanthracen-9-yl)benzene-1,2,3,4,5-pentol.

Molecular Properties

Compound Name6-(10-phenanthren-3-ylanthracen-9-yl)benzene-1,2,3,4,5-pentol
PubChem CID155392957
Molecular FormulaC34H22O5
Molecular Weight510.55 g/mol
Exact Mass510.15
IUPAC Name6-(10-phenanthren-3-ylanthracen-9-yl)benzene-1,2,3,4,5-pentol
SMILESOc1c(O)c(O)c(-c2c3ccccc3c(-c3ccc4ccc5ccccc5c4c3)c3ccccc23)c(O)c1O
InChIInChI=1S/C34H22O5/c35-30-29(31(36)33(38)34(39)32(30)37)28-24-11-5-3-9-22(24)27(23-10-4-6-12-25(23)28)20-16-15-19-14-13-18-7-1-2-8-21(18)26(19)17-20/h1-17,35-39H
InChIKeyCETAJBBHBGOPQZ-UHFFFAOYSA-N
XLogP8.16
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.55
LogP ≤ 58.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6-[7-[10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]naphthalen-1-yl]benzene-1,2,3,4,5-pentol
CID 144837195
6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 126632955
6-[10-(4-methylphenyl)-9-phenanthren-2-ylanthracen-2-yl]benzene-1,2,3,4,5-pentol
CID 91497188
9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-phenanthren-3-ylanthracene
CID 58194365
9-phenanthren-3-yl-10-phenylanthracene-1,2,3,4,5,6,7,8-octol
CID 163801714
9-methyl-10-phenanthren-3-ylanthracene
CID 123866149
6-[8-[10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]dibenzofuran-2-yl]benzene-1,2,3,4,5-pentol
CID 160775990
9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-3-ylnaphthalen-2-yl)anthracene
CID 58194491
6-[10-(6-naphthalen-1-yldibenzofuran-2-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 163666775
9-phenanthren-3-yl-10-[4-(2-phenylphenyl)naphthalen-1-yl]anthracene
CID 58194536
3,6-bis[10-(4-methylphenyl)anthracen-9-yl]phenanthrene
CID 168838204
6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzene-1,2,3,4,5-pentol
CID 162006914

Frequently Asked Questions

What is the IUPAC name of 6-(10-phenanthren-3-ylanthracen-9-yl)benzene-1,2,3,4,5-pentol?
The IUPAC name of 6-(10-phenanthren-3-ylanthracen-9-yl)benzene-1,2,3,4,5-pentol (CID 155392957) is 6-(10-phenanthren-3-ylanthracen-9-yl)benzene-1,2,3,4,5-pentol.
What is the SMILES notation for 6-(10-phenanthren-3-ylanthracen-9-yl)benzene-1,2,3,4,5-pentol?
The canonical SMILES for 6-(10-phenanthren-3-ylanthracen-9-yl)benzene-1,2,3,4,5-pentol is Oc1c(O)c(O)c(-c2c3ccccc3c(-c3ccc4ccc5ccccc5c4c3)c3ccccc23)c(O)c1O.
What is the InChIKey of 6-(10-phenanthren-3-ylanthracen-9-yl)benzene-1,2,3,4,5-pentol?
The InChIKey is CETAJBBHBGOPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22O5/c35-30-29(31(36)33(38)34(39)32(30)37)28-24-11-5-3-9-22(24)27(23-10-4-6-12-25(23)28)20-16-15-19-14-13-18-7-1-2-8-21(18)26(19)17-20/h1-17,35-39H.
What are the key properties of 6-(10-phenanthren-3-ylanthracen-9-yl)benzene-1,2,3,4,5-pentol?
6-(10-phenanthren-3-ylanthracen-9-yl)benzene-1,2,3,4,5-pentol has a molecular weight of 510.55 g/mol, XLogP of 8.16, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(10-phenanthren-3-ylanthracen-9-yl)benzene-1,2,3,4,5-pentol is sourced from PubChem (CID 155392957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).