6,11-diphenyl-5,12-bis(4-phenylphenyl)tetracene-5,12-diol

C54H38O2 — CID 70872098

IUPAC6,11-diphenyl-5,12-bis(4-phenylphenyl)tetracene-5,12-diol
SMILESOC1(c2ccc(-c3ccccc3)cc2)c2ccccc2C(O)(c2ccc(-c3ccccc3)cc2)c2c1c(-c1ccccc1)c1ccccc1c2-c1ccccc1
InChIInChI=1S/C54H38O2/c55-53(43-33-29-39(30-34-43)37-17-5-1-6-18-37)47-27-15-16-28-48(47)54(56,44-35-31-40(32-36-44)38-19-7-2-8-20-38)52-50(42-23-11-4-12-24-42)46-26-14-13-25-45(46)49(51(52)53)41-21-9-3-10-22-41/h1-36,55-56H
InChIKeySQACYZRFHSFLDB-UHFFFAOYSA-N
MW718.90 g/mol
LogP12.39
Rot. Bonds6

About 6,11-diphenyl-5,12-bis(4-phenylphenyl)tetracene-5,12-diol

6,11-diphenyl-5,12-bis(4-phenylphenyl)tetracene-5,12-diol (PubChem CID 70872098) has the molecular formula C54H38O2 and a molecular weight of 718.90 g/mol. Its IUPAC name is 6,11-diphenyl-5,12-bis(4-phenylphenyl)tetracene-5,12-diol.

Molecular Properties

Compound Name6,11-diphenyl-5,12-bis(4-phenylphenyl)tetracene-5,12-diol
PubChem CID70872098
Molecular FormulaC54H38O2
Molecular Weight718.90 g/mol
Exact Mass718.29
IUPAC Name6,11-diphenyl-5,12-bis(4-phenylphenyl)tetracene-5,12-diol
SMILESOC1(c2ccc(-c3ccccc3)cc2)c2ccccc2C(O)(c2ccc(-c3ccccc3)cc2)c2c1c(-c1ccccc1)c1ccccc1c2-c1ccccc1
InChIInChI=1S/C54H38O2/c55-53(43-33-29-39(30-34-43)37-17-5-1-6-18-37)47-27-15-16-28-48(47)54(56,44-35-31-40(32-36-44)38-19-7-2-8-20-38)52-50(42-23-11-4-12-24-42)46-26-14-13-25-45(46)49(51(52)53)41-21-9-3-10-22-41/h1-36,55-56H
InChIKeySQACYZRFHSFLDB-UHFFFAOYSA-N
XLogP12.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.90
LogP ≤ 512.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6,11-diphenyl-5,12-bis(4-phenylphenyl)tetracene-5,12-diol with MolForge

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Related Compounds

3,4,5,6-tetraphenylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-1,8-diol
CID 102487454
9,10-bis[4-(2,2-diphenylethenyl)phenyl]-2-(10-phenylanthracen-9-yl)anthracene-9,10-diol
CID 139997699
9,10-dinaphthalen-2-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene;9,10-dinaphthalen-2-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene-9,10-diol
CID 159047940
7-phenylbicyclo[4.1.0]hepta-1,3,5-trien-7-ol
CID 87437290
methane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 143224896
9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557543
(11R)-6,11-diphenylindeno[1,2-c]quinolin-11-ol
CID 139182041
9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 155648463
1,3,10,12-tetraphenylpentacyclo[10.6.2.02,11.04,9.013,18]icosa-2,4,6,8,10,13,15,17-octaene-19,20-dicarbonitrile
CID 139244735
9-(3-phenylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 23579750
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476
9-(9,9-diphenylfluoren-2-yl)-10-(4-phenylphenyl)anthracene
CID 140792270

Frequently Asked Questions

What is the IUPAC name of 6,11-diphenyl-5,12-bis(4-phenylphenyl)tetracene-5,12-diol?
The IUPAC name of 6,11-diphenyl-5,12-bis(4-phenylphenyl)tetracene-5,12-diol (CID 70872098) is 6,11-diphenyl-5,12-bis(4-phenylphenyl)tetracene-5,12-diol.
What is the SMILES notation for 6,11-diphenyl-5,12-bis(4-phenylphenyl)tetracene-5,12-diol?
The canonical SMILES for 6,11-diphenyl-5,12-bis(4-phenylphenyl)tetracene-5,12-diol is OC1(c2ccc(-c3ccccc3)cc2)c2ccccc2C(O)(c2ccc(-c3ccccc3)cc2)c2c1c(-c1ccccc1)c1ccccc1c2-c1ccccc1.
What is the InChIKey of 6,11-diphenyl-5,12-bis(4-phenylphenyl)tetracene-5,12-diol?
The InChIKey is SQACYZRFHSFLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38O2/c55-53(43-33-29-39(30-34-43)37-17-5-1-6-18-37)47-27-15-16-28-48(47)54(56,44-35-31-40(32-36-44)38-19-7-2-8-20-38)52-50(42-23-11-4-12-24-42)46-26-14-13-25-45(46)49(51(52)53)41-21-9-3-10-22-41/h1-36,55-56H.
What are the key properties of 6,11-diphenyl-5,12-bis(4-phenylphenyl)tetracene-5,12-diol?
6,11-diphenyl-5,12-bis(4-phenylphenyl)tetracene-5,12-diol has a molecular weight of 718.90 g/mol, XLogP of 12.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,11-diphenyl-5,12-bis(4-phenylphenyl)tetracene-5,12-diol is sourced from PubChem (CID 70872098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).