6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene

C48H38 — CID 101421308

IUPAC6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene
SMILESCc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3cc4c(cc32)-c2ccccc2C4(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C48H38/c1-31-13-21-35(22-14-31)47(36-23-15-32(2)16-24-36)43-11-7-5-9-39(43)41-30-46-42(29-45(41)47)40-10-6-8-12-44(40)48(46,37-25-17-33(3)18-26-37)38-27-19-34(4)20-28-38/h5-30H,1-4H3
InChIKeyMNANUBBAAGHWQG-UHFFFAOYSA-N
MW614.83 g/mol
LogP11.65
Rot. Bonds4

About 6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene

6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene (PubChem CID 101421308) has the molecular formula C48H38 and a molecular weight of 614.83 g/mol. Its IUPAC name is 6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene.

Molecular Properties

Compound Name6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene
PubChem CID101421308
Molecular FormulaC48H38
Molecular Weight614.83 g/mol
Exact Mass614.30
IUPAC Name6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene
SMILESCc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3cc4c(cc32)-c2ccccc2C4(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C48H38/c1-31-13-21-35(22-14-31)47(36-23-15-32(2)16-24-36)43-11-7-5-9-39(43)41-30-46-42(29-45(41)47)40-10-6-8-12-44(40)48(46,37-25-17-33(3)18-26-37)38-27-19-34(4)20-28-38/h5-30H,1-4H3
InChIKeyMNANUBBAAGHWQG-UHFFFAOYSA-N
XLogP11.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.83
LogP ≤ 511.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6,6,12,12-tetrakis(4-methylphenyl)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

Frequently Asked Questions

What is the IUPAC name of 6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene?
The IUPAC name of 6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene (CID 101421308) is 6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene.
What is the SMILES notation for 6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene?
The canonical SMILES for 6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene is Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3cc4c(cc32)-c2ccccc2C4(c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene?
The InChIKey is MNANUBBAAGHWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38/c1-31-13-21-35(22-14-31)47(36-23-15-32(2)16-24-36)43-11-7-5-9-39(43)41-30-46-42(29-45(41)47)40-10-6-8-12-44(40)48(46,37-25-17-33(3)18-26-37)38-27-19-34(4)20-28-38/h5-30H,1-4H3.
What are the key properties of 6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene?
6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene has a molecular weight of 614.83 g/mol, XLogP of 11.65, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene is sourced from PubChem (CID 101421308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).