5-[10-(4-tert-butylphenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene

C43H36 — CID 123566390

IUPAC5-[10-(4-tert-butylphenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
SMILESCC(C)(C)c1ccc(-c2c3ccccc3c(-c3cc4c(c5ccccc35)-c3ccccc3C4(C)C)c3ccccc23)cc1
InChIInChI=1S/C43H36/c1-42(2,3)28-24-22-27(23-25-28)39-31-16-8-10-18-33(31)40(34-19-11-9-17-32(34)39)36-26-38-41(30-15-7-6-14-29(30)36)35-20-12-13-21-37(35)43(38,4)5/h6-26H,1-5H3
InChIKeyGNOLFNDZFIHEBP-UHFFFAOYSA-N
MW552.76 g/mol
LogP12.08
Rot. Bonds2

About 5-[10-(4-tert-butylphenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene

5-[10-(4-tert-butylphenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene (PubChem CID 123566390) has the molecular formula C43H36 and a molecular weight of 552.76 g/mol. Its IUPAC name is 5-[10-(4-tert-butylphenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene.

Molecular Properties

Compound Name5-[10-(4-tert-butylphenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
PubChem CID123566390
Molecular FormulaC43H36
Molecular Weight552.76 g/mol
Exact Mass552.28
IUPAC Name5-[10-(4-tert-butylphenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
SMILESCC(C)(C)c1ccc(-c2c3ccccc3c(-c3cc4c(c5ccccc35)-c3ccccc3C4(C)C)c3ccccc23)cc1
InChIInChI=1S/C43H36/c1-42(2,3)28-24-22-27(23-25-28)39-31-16-8-10-18-33(31)40(34-19-11-9-17-32(34)39)36-26-38-41(30-15-7-6-14-29(30)36)35-20-12-13-21-37(35)43(38,4)5/h6-26H,1-5H3
InChIKeyGNOLFNDZFIHEBP-UHFFFAOYSA-N
XLogP12.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.76
LogP ≤ 512.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-[10-(4-tert-butylphenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]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

5-[10-(4-fluorophenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
CID 88549809
5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
CID 91114293
[4-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]phenyl]-phenylmethanone
CID 88549557
7,7-dimethyl-5-(2-phenanthren-9-yl-10-phenylanthracen-9-yl)benzo[c]fluorene
CID 90769656
7,7-dimethyl-5-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 123260279
10-(4-tert-butylphenyl)-9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene
CID 59196069
2-tert-butyl-9-naphthalen-1-yl-10-phenanthren-1-ylanthracene;2-tert-butyl-9-naphthalen-2-yl-10-phenanthren-1-ylanthracene;2-tert-butyl-10-naphthalen-1-yl-9-phenanthren-1-ylanthracene;2-tert-butyl-10-naphthalen-2-yl-9-phenanthren-1-ylanthracene;7,7-dimethyl-5-(10-phenanthren-2-ylanthracen-9-yl)benzo[c]fluorene;9-naphthalen-1-yl-2,6-dinaphthalen-2-yl-10-phenanthren-2-ylanthracene;6,6,12,12-tetramethyl-2-(10-phenanthren-2-ylanthracen-9-yl)indeno[1,2-b]fluorene;2,6,9-trinaphthalen-2-yl-10-phenanthren-2-ylanthracene
CID 161324797
19-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]-21,21-dimethylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 140724618
9-(4-tert-butylphenyl)-10-phenanthren-9-ylanthracene
CID 59592442
[4-[9-(7,7-dimethylbenzo[c]fluoren-5-yl)-10-phenylanthracen-2-yl]phenyl]-phenylmethanone
CID 89024086
7,7-dimethyl-5-[10-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]anthracen-9-yl]benzo[c]fluorene
CID 123322545
6,6,12,12-tetramethyl-5-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b]fluorene
CID 159679931

Frequently Asked Questions

What is the IUPAC name of 5-[10-(4-tert-butylphenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene?
The IUPAC name of 5-[10-(4-tert-butylphenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene (CID 123566390) is 5-[10-(4-tert-butylphenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene.
What is the SMILES notation for 5-[10-(4-tert-butylphenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene?
The canonical SMILES for 5-[10-(4-tert-butylphenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene is CC(C)(C)c1ccc(-c2c3ccccc3c(-c3cc4c(c5ccccc35)-c3ccccc3C4(C)C)c3ccccc23)cc1.
What is the InChIKey of 5-[10-(4-tert-butylphenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene?
The InChIKey is GNOLFNDZFIHEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H36/c1-42(2,3)28-24-22-27(23-25-28)39-31-16-8-10-18-33(31)40(34-19-11-9-17-32(34)39)36-26-38-41(30-15-7-6-14-29(30)36)35-20-12-13-21-37(35)43(38,4)5/h6-26H,1-5H3.
What are the key properties of 5-[10-(4-tert-butylphenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene?
5-[10-(4-tert-butylphenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene has a molecular weight of 552.76 g/mol, XLogP of 12.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[10-(4-tert-butylphenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene is sourced from PubChem (CID 123566390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).