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

C41H28O5 — CID 91497188

IUPAC6-[10-(4-methylphenyl)-9-phenanthren-2-ylanthracen-2-yl]benzene-1,2,3,4,5-pentol
SMILESCc1ccc(-c2c3ccccc3c(-c3ccc4c(ccc5ccccc54)c3)c3cc(-c4c(O)c(O)c(O)c(O)c4O)ccc23)cc1
InChIInChI=1S/C41H28O5/c1-22-10-12-24(13-11-22)34-30-8-4-5-9-31(30)35(26-16-18-29-25(20-26)15-14-23-6-2-3-7-28(23)29)33-21-27(17-19-32(33)34)36-37(42)39(44)41(46)40(45)38(36)43/h2-21,42-46H,1H3
InChIKeyWVYCRKHMEOHAEF-UHFFFAOYSA-N
MW600.67 g/mol
LogP10.14
Rot. Bonds3

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

6-[10-(4-methylphenyl)-9-phenanthren-2-ylanthracen-2-yl]benzene-1,2,3,4,5-pentol (PubChem CID 91497188) has the molecular formula C41H28O5 and a molecular weight of 600.67 g/mol. Its IUPAC name is 6-[10-(4-methylphenyl)-9-phenanthren-2-ylanthracen-2-yl]benzene-1,2,3,4,5-pentol.

Molecular Properties

Compound Name6-[10-(4-methylphenyl)-9-phenanthren-2-ylanthracen-2-yl]benzene-1,2,3,4,5-pentol
PubChem CID91497188
Molecular FormulaC41H28O5
Molecular Weight600.67 g/mol
Exact Mass600.19
IUPAC Name6-[10-(4-methylphenyl)-9-phenanthren-2-ylanthracen-2-yl]benzene-1,2,3,4,5-pentol
SMILESCc1ccc(-c2c3ccccc3c(-c3ccc4c(ccc5ccccc54)c3)c3cc(-c4c(O)c(O)c(O)c(O)c4O)ccc23)cc1
InChIInChI=1S/C41H28O5/c1-22-10-12-24(13-11-22)34-30-8-4-5-9-31(30)35(26-16-18-29-25(20-26)15-14-23-6-2-3-7-28(23)29)33-21-27(17-19-32(33)34)36-37(42)39(44)41(46)40(45)38(36)43/h2-21,42-46H,1H3
InChIKeyWVYCRKHMEOHAEF-UHFFFAOYSA-N
XLogP10.14
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.67
LogP ≤ 510.14
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-(10-phenanthren-3-ylanthracen-9-yl)benzene-1,2,3,4,5-pentol
CID 155392957
2-tert-butyl-9,10-dinaphthalen-2-ylanthracene;2-tert-butyl-9,10-diphenylanthracene;6-(9,10-dinaphthalen-1-ylanthracen-2-yl)benzene-1,2,3,4,5-pentol;9,10-dinaphthalen-2-yl-2-phenylanthracene;9,10-dinaphthalen-2-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;2-methyl-9,10-dinaphthalen-2-ylanthracene;2-methyl-9,10-diphenylanthracene;2-(4-methylphenyl)-9,10-dinaphthalen-2-ylanthracene
CID 158490228
3,6-bis[10-(4-methylphenyl)anthracen-9-yl]phenanthrene
CID 168838204
2,9-bis(4-methylphenyl)-10-phenanthren-9-ylanthracene
CID 156622206
2-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)-10-phenanthren-9-ylanthracene
CID 58323468
6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzene-1,2,3,4,5-pentol
CID 162006914
9-[8-(4-methylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837262
2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-phenanthren-9-ylanthracene
CID 143986124
2-(4-methylphenyl)-10-naphthalen-1-yl-9-phenylanthracene
CID 59766405
9-(4-methylphenyl)-10-[8-(4-phenylphenyl)naphthalen-2-yl]anthracene
CID 144837228
9-naphthalen-1-yl-10-naphthalen-2-yl-2-(2,3,4,5,6-pentamethylphenyl)anthracene
CID 153465608
2,9-dinaphthalen-2-yl-10-phenanthren-9-ylanthracene;9-naphthalen-1-yl-2,10-dinaphthalen-2-ylanthracene;10-naphthalen-1-yl-2,9-dinaphthalen-2-ylanthracene;10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)anthracene;10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene;2,9,10-trinaphthalen-2-ylanthracene
CID 158406092

Frequently Asked Questions

What is the IUPAC name of 6-[10-(4-methylphenyl)-9-phenanthren-2-ylanthracen-2-yl]benzene-1,2,3,4,5-pentol?
The IUPAC name of 6-[10-(4-methylphenyl)-9-phenanthren-2-ylanthracen-2-yl]benzene-1,2,3,4,5-pentol (CID 91497188) is 6-[10-(4-methylphenyl)-9-phenanthren-2-ylanthracen-2-yl]benzene-1,2,3,4,5-pentol.
What is the SMILES notation for 6-[10-(4-methylphenyl)-9-phenanthren-2-ylanthracen-2-yl]benzene-1,2,3,4,5-pentol?
The canonical SMILES for 6-[10-(4-methylphenyl)-9-phenanthren-2-ylanthracen-2-yl]benzene-1,2,3,4,5-pentol is Cc1ccc(-c2c3ccccc3c(-c3ccc4c(ccc5ccccc54)c3)c3cc(-c4c(O)c(O)c(O)c(O)c4O)ccc23)cc1.
What is the InChIKey of 6-[10-(4-methylphenyl)-9-phenanthren-2-ylanthracen-2-yl]benzene-1,2,3,4,5-pentol?
The InChIKey is WVYCRKHMEOHAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28O5/c1-22-10-12-24(13-11-22)34-30-8-4-5-9-31(30)35(26-16-18-29-25(20-26)15-14-23-6-2-3-7-28(23)29)33-21-27(17-19-32(33)34)36-37(42)39(44)41(46)40(45)38(36)43/h2-21,42-46H,1H3.
What are the key properties of 6-[10-(4-methylphenyl)-9-phenanthren-2-ylanthracen-2-yl]benzene-1,2,3,4,5-pentol?
6-[10-(4-methylphenyl)-9-phenanthren-2-ylanthracen-2-yl]benzene-1,2,3,4,5-pentol has a molecular weight of 600.67 g/mol, XLogP of 10.14, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[10-(4-methylphenyl)-9-phenanthren-2-ylanthracen-2-yl]benzene-1,2,3,4,5-pentol is sourced from PubChem (CID 91497188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).