9-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-10-(4-methylphenyl)anthracene

C46H34 — CID 142701707

IUPAC9-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-10-(4-methylphenyl)anthracene
SMILESCc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C46H34/c1-29-20-22-30(23-21-29)44-37-15-6-8-17-39(37)45(40-18-9-7-16-38(40)44)41-27-26-32(33-12-4-5-13-34(33)41)31-24-25-36-35-14-10-11-19-42(35)46(2,3)43(36)28-31/h4-28H,1-3H3
InChIKeyPCEPOYAPOMQLOM-UHFFFAOYSA-N
MW586.78 g/mol
LogP12.76
Rot. Bonds3

About 9-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-10-(4-methylphenyl)anthracene

9-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-10-(4-methylphenyl)anthracene (PubChem CID 142701707) has the molecular formula C46H34 and a molecular weight of 586.78 g/mol. Its IUPAC name is 9-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-10-(4-methylphenyl)anthracene.

Molecular Properties

Compound Name9-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-10-(4-methylphenyl)anthracene
PubChem CID142701707
Molecular FormulaC46H34
Molecular Weight586.78 g/mol
Exact Mass586.27
IUPAC Name9-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-10-(4-methylphenyl)anthracene
SMILESCc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C46H34/c1-29-20-22-30(23-21-29)44-37-15-6-8-17-39(37)45(40-18-9-7-16-38(40)44)41-27-26-32(33-12-4-5-13-34(33)41)31-24-25-36-35-14-10-11-19-42(35)46(2,3)43(36)28-31/h4-28H,1-3H3
InChIKeyPCEPOYAPOMQLOM-UHFFFAOYSA-N
XLogP12.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.78
LogP ≤ 512.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-10-(4-methylphenyl)anthracene 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

9-[4-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphthalen-1-yl]-10-phenylanthracene
CID 58174880
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
9-(9,9-dimethylfluoren-2-yl)-10-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylanthracene
CID 59195744
9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-methylanthracen-9-yl]-2-methylanthracene
CID 58782810
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-diphenylanthracene
CID 159887994
2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]triphenylene;9-(9,9-dimethylfluoren-2-yl)-10-[4-(2-phenylphenyl)phenyl]anthracene;methane;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 160677802
9-(9,9-dimethylfluoren-2-yl)-10-[7-(2,3-dimethyl-10-phenylanthracen-9-yl)-9,9-dimethylfluoren-2-yl]-2,3-dimethylanthracene
CID 20822196
9-(9,9-dimethylfluoren-2-yl)-10-(2-phenylphenyl)anthracene
CID 20822373
5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
CID 91114293
4-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-2-yl]-7,7-dimethylbenzo[c]fluorene
CID 159232925
9-(9,9-dimethylfluoren-2-yl)-15-[4-[15-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58479671
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(10-naphthalen-1-ylanthracen-9-yl)anthracene
CID 20822239

Frequently Asked Questions

What is the IUPAC name of 9-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-10-(4-methylphenyl)anthracene?
The IUPAC name of 9-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-10-(4-methylphenyl)anthracene (CID 142701707) is 9-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-10-(4-methylphenyl)anthracene.
What is the SMILES notation for 9-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-10-(4-methylphenyl)anthracene?
The canonical SMILES for 9-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-10-(4-methylphenyl)anthracene is Cc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 9-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-10-(4-methylphenyl)anthracene?
The InChIKey is PCEPOYAPOMQLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34/c1-29-20-22-30(23-21-29)44-37-15-6-8-17-39(37)45(40-18-9-7-16-38(40)44)41-27-26-32(33-12-4-5-13-34(33)41)31-24-25-36-35-14-10-11-19-42(35)46(2,3)43(36)28-31/h4-28H,1-3H3.
What are the key properties of 9-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-10-(4-methylphenyl)anthracene?
9-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-10-(4-methylphenyl)anthracene has a molecular weight of 586.78 g/mol, XLogP of 12.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-10-(4-methylphenyl)anthracene is sourced from PubChem (CID 142701707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).