6,6,12,12-tetramethyl-5-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b]fluorene

C50H38 — CID 159679931

IUPAC6,6,12,12-tetramethyl-5-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b]fluorene
SMILESCC1(C)c2ccccc2-c2c1cc1c(c2-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3ccccc23)C(C)(C)c2ccccc2-1
InChIInChI=1S/C50H38/c1-49(2)42-25-15-13-23-39(42)46-43(49)30-40-34-18-12-14-24-41(34)50(3,4)48(40)47(46)45-37-21-10-8-19-35(37)44(36-20-9-11-22-38(36)45)33-28-26-32(27-29-33)31-16-6-5-7-17-31/h5-30H,1-4H3
InChIKeyUDNOVEHMDSYGOS-UHFFFAOYSA-N
MW638.85 g/mol
LogP13.61
Rot. Bonds3

About 6,6,12,12-tetramethyl-5-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b]fluorene

6,6,12,12-tetramethyl-5-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b]fluorene (PubChem CID 159679931) has the molecular formula C50H38 and a molecular weight of 638.85 g/mol. Its IUPAC name is 6,6,12,12-tetramethyl-5-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b]fluorene.

Molecular Properties

Compound Name6,6,12,12-tetramethyl-5-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b]fluorene
PubChem CID159679931
Molecular FormulaC50H38
Molecular Weight638.85 g/mol
Exact Mass638.30
IUPAC Name6,6,12,12-tetramethyl-5-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b]fluorene
SMILESCC1(C)c2ccccc2-c2c1cc1c(c2-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3ccccc23)C(C)(C)c2ccccc2-1
InChIInChI=1S/C50H38/c1-49(2)42-25-15-13-23-39(42)46-43(49)30-40-34-18-12-14-24-41(34)50(3,4)48(40)47(46)45-37-21-10-8-19-35(37)44(36-20-9-11-22-38(36)45)33-28-26-32(27-29-33)31-16-6-5-7-17-31/h5-30H,1-4H3
InChIKeyUDNOVEHMDSYGOS-UHFFFAOYSA-N
XLogP13.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.85
LogP ≤ 513.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 6,6,12,12-tetramethyl-5-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b]fluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,7,12,12-tetramethyl-6-(10-phenylanthracen-9-yl)indeno[1,2-c]fluorene
CID 158811185
7,7,12,12-tetramethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]indeno[1,2-c]fluorene
CID 158411932
6,6,12,12-tetramethyl-5-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indeno[1,2-b]fluorene
CID 160961587
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 20822243
9,9,14,14-tetramethyl-6-(10-phenylanthracen-9-yl)pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 158811180
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
21,21-dimethyl-5-[4-(10-phenylanthracen-9-yl)phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15,17,19-decaene
CID 157131299
6-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene
CID 161226444
9-(9,9-dimethylfluoren-3-yl)-10-(2,6-diphenylphenyl)anthracene
CID 171447304
9-(9,9-dimethylfluoren-3-yl)-2,10-diphenylanthracene
CID 59195155
13-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene
CID 58160934
9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(4-phenylphenyl)anthracene
CID 59196543

Frequently Asked Questions

What is the IUPAC name of 6,6,12,12-tetramethyl-5-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b]fluorene?
The IUPAC name of 6,6,12,12-tetramethyl-5-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b]fluorene (CID 159679931) is 6,6,12,12-tetramethyl-5-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b]fluorene.
What is the SMILES notation for 6,6,12,12-tetramethyl-5-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b]fluorene?
The canonical SMILES for 6,6,12,12-tetramethyl-5-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b]fluorene is CC1(C)c2ccccc2-c2c1cc1c(c2-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3ccccc23)C(C)(C)c2ccccc2-1.
What is the InChIKey of 6,6,12,12-tetramethyl-5-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b]fluorene?
The InChIKey is UDNOVEHMDSYGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38/c1-49(2)42-25-15-13-23-39(42)46-43(49)30-40-34-18-12-14-24-41(34)50(3,4)48(40)47(46)45-37-21-10-8-19-35(37)44(36-20-9-11-22-38(36)45)33-28-26-32(27-29-33)31-16-6-5-7-17-31/h5-30H,1-4H3.
What are the key properties of 6,6,12,12-tetramethyl-5-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b]fluorene?
6,6,12,12-tetramethyl-5-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b]fluorene has a molecular weight of 638.85 g/mol, XLogP of 13.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,12,12-tetramethyl-5-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b]fluorene is sourced from PubChem (CID 159679931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).