9-[5-chloro-2-(4-chlorophenyl)phenyl]-10,10-diphenylanthracen-9-ol

C38H26Cl2O — CID 142598749

IUPAC9-[5-chloro-2-(4-chlorophenyl)phenyl]-10,10-diphenylanthracen-9-ol
SMILESOC1(c2cc(Cl)ccc2-c2ccc(Cl)cc2)c2ccccc2C(c2ccccc2)(c2ccccc2)c2ccccc21
InChIInChI=1S/C38H26Cl2O/c39-29-21-19-26(20-22-29)31-24-23-30(40)25-36(31)38(41)34-17-9-7-15-32(34)37(27-11-3-1-4-12-27,28-13-5-2-6-14-28)33-16-8-10-18-35(33)38/h1-25,41H
InChIKeyLPTWIUPMIVEPPY-UHFFFAOYSA-N
MW569.53 g/mol
LogP9.64
Rot. Bonds4

About 9-[5-chloro-2-(4-chlorophenyl)phenyl]-10,10-diphenylanthracen-9-ol

9-[5-chloro-2-(4-chlorophenyl)phenyl]-10,10-diphenylanthracen-9-ol (PubChem CID 142598749) has the molecular formula C38H26Cl2O and a molecular weight of 569.53 g/mol. Its IUPAC name is 9-[5-chloro-2-(4-chlorophenyl)phenyl]-10,10-diphenylanthracen-9-ol.

Molecular Properties

Compound Name9-[5-chloro-2-(4-chlorophenyl)phenyl]-10,10-diphenylanthracen-9-ol
PubChem CID142598749
Molecular FormulaC38H26Cl2O
Molecular Weight569.53 g/mol
Exact Mass568.14
IUPAC Name9-[5-chloro-2-(4-chlorophenyl)phenyl]-10,10-diphenylanthracen-9-ol
SMILESOC1(c2cc(Cl)ccc2-c2ccc(Cl)cc2)c2ccccc2C(c2ccccc2)(c2ccccc2)c2ccccc21
InChIInChI=1S/C38H26Cl2O/c39-29-21-19-26(20-22-29)31-24-23-30(40)25-36(31)38(41)34-17-9-7-15-32(34)37(27-11-3-1-4-12-27,28-13-5-2-6-14-28)33-16-8-10-18-35(33)38/h1-25,41H
InChIKeyLPTWIUPMIVEPPY-UHFFFAOYSA-N
XLogP9.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.53
LogP ≤ 59.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

9-[2-(4-chlorophenyl)phenyl]-2,7-bis(3-phenylphenyl)fluoren-9-ol
CID 155407363
2-chloro-11-(2-phenylphenyl)benzo[b]fluoren-11-ol
CID 134194053
3-chloro-5,12,12-triphenyltetracen-5-ol
CID 163521956
2-[2-(4-chlorophenyl)phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
CID 130260461
9-(5-chloro-2-dibenzofuran-3-ylphenyl)-10,10-dimethylanthracen-9-ol
CID 142752896
2-[2-(4-chlorophenyl)phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol
CID 142556602
2-[2-(4-chlorophenyl)phenyl]-9-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
CID 134253362
9-(3-chlorophenyl)-4,9-diphenylfluorene
CID 176760005
9,10-bis(2-bromophenyl)-2-chloroanthracene-9,10-diol
CID 58251733
2-chloro-9-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-5,9-diphenylfluorene
CID 142604931
4-(4-chlorophenyl)-1-phenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 168750793
9-(4-chlorophenyl)-4-naphthalen-2-yl-9-phenylfluorene
CID 176760045

Frequently Asked Questions

What is the IUPAC name of 9-[5-chloro-2-(4-chlorophenyl)phenyl]-10,10-diphenylanthracen-9-ol?
The IUPAC name of 9-[5-chloro-2-(4-chlorophenyl)phenyl]-10,10-diphenylanthracen-9-ol (CID 142598749) is 9-[5-chloro-2-(4-chlorophenyl)phenyl]-10,10-diphenylanthracen-9-ol.
What is the SMILES notation for 9-[5-chloro-2-(4-chlorophenyl)phenyl]-10,10-diphenylanthracen-9-ol?
The canonical SMILES for 9-[5-chloro-2-(4-chlorophenyl)phenyl]-10,10-diphenylanthracen-9-ol is OC1(c2cc(Cl)ccc2-c2ccc(Cl)cc2)c2ccccc2C(c2ccccc2)(c2ccccc2)c2ccccc21.
What is the InChIKey of 9-[5-chloro-2-(4-chlorophenyl)phenyl]-10,10-diphenylanthracen-9-ol?
The InChIKey is LPTWIUPMIVEPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26Cl2O/c39-29-21-19-26(20-22-29)31-24-23-30(40)25-36(31)38(41)34-17-9-7-15-32(34)37(27-11-3-1-4-12-27,28-13-5-2-6-14-28)33-16-8-10-18-35(33)38/h1-25,41H.
What are the key properties of 9-[5-chloro-2-(4-chlorophenyl)phenyl]-10,10-diphenylanthracen-9-ol?
9-[5-chloro-2-(4-chlorophenyl)phenyl]-10,10-diphenylanthracen-9-ol has a molecular weight of 569.53 g/mol, XLogP of 9.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-chloro-2-(4-chlorophenyl)phenyl]-10,10-diphenylanthracen-9-ol is sourced from PubChem (CID 142598749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).