6-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]chrysene

C48H34 — CID 59194713

IUPAC6-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]chrysene
SMILESCc1ccc2c(-c3cc4c5ccccc5ccc4c4ccccc34)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2c1
InChIInChI=1S/C48H34/c1-29-20-23-40-42(26-29)46(31-22-25-37-36-16-10-11-19-44(36)48(2,3)45(37)27-31)38-17-8-9-18-39(38)47(40)43-28-41-32-13-5-4-12-30(32)21-24-35(41)33-14-6-7-15-34(33)43/h4-28H,1-3H3
InChIKeyHTLZKXDHEOQTAT-UHFFFAOYSA-N
MW610.80 g/mol
LogP13.40
Rot. Bonds2

About 6-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]chrysene

6-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]chrysene (PubChem CID 59194713) has the molecular formula C48H34 and a molecular weight of 610.80 g/mol. Its IUPAC name is 6-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]chrysene.

Molecular Properties

Compound Name6-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]chrysene
PubChem CID59194713
Molecular FormulaC48H34
Molecular Weight610.80 g/mol
Exact Mass610.27
IUPAC Name6-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]chrysene
SMILESCc1ccc2c(-c3cc4c5ccccc5ccc4c4ccccc34)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2c1
InChIInChI=1S/C48H34/c1-29-20-23-40-42(26-29)46(31-22-25-37-36-16-10-11-19-44(36)48(2,3)45(37)27-31)38-17-8-9-18-39(38)47(40)43-28-41-32-13-5-4-12-30(32)21-24-35(41)33-14-6-7-15-34(33)43/h4-28H,1-3H3
InChIKeyHTLZKXDHEOQTAT-UHFFFAOYSA-N
XLogP13.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.80
LogP ≤ 513.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylanthracene
CID 59195744
2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]quinoline
CID 59195716
9-(9,9-dimethylfluoren-2-yl)-10-(2,4-dimethylphenyl)-2-naphthalen-2-ylanthracene
CID 59195935
7-(9,9-dimethylfluoren-2-yl)-12-phenanthren-3-ylbenzo[a]anthracene;7-phenanthren-2-yl-12-phenanthren-3-ylbenzo[a]anthracene;12-phenanthren-3-yl-7-phenanthren-9-ylbenzo[a]anthracene
CID 158903518
9,10-bis(4-methylphenyl)-2-(4-phenylphenyl)anthracene;10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)anthracene;9-(9,9-dimethylfluoren-2-yl)-10-(4-naphthalen-2-ylphenyl)-2-(10-phenylanthracen-9-yl)anthracene;9,10-di(phenanthren-9-yl)-2-(10-phenylanthracen-9-yl)anthracene;methane;9-(4-methylphenyl)-10-phenanthren-9-ylanthracene;2-naphthalen-2-yl-9,10-di(phenanthren-9-yl)anthracene
CID 159507459
6-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-2-methylquinoline
CID 59194985
9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-phenanthren-9-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-phenylanthracene
CID 159919561
2,9-bis(9,9-dimethylfluoren-2-yl)-10-[4-(9,9-dimethylfluoren-2-yl)phenyl]anthracene;2,9-bis(9,9-dimethylfluoren-2-yl)-10-(4-naphthalen-1-ylphenyl)anthracene;9,10-bis(4-methylphenyl)-2-(4-phenylphenyl)anthracene;2-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-yl-9-naphthalen-2-ylanthracene;10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)anthracene;9-(4-methylphenyl)-10-phenanthren-9-ylanthracene;2-naphthalen-2-yl-9,10-di(phenanthren-9-yl)anthracene
CID 158885833
2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-1-yl-2-(10-naphthalen-2-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-1-yl-2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]anthracene;9,10-dinaphthalen-1-yl-2-(10-phenanthren-9-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-1-yl-2-(10-phenylanthracen-9-yl)anthracene;9,10-dinaphthalen-1-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene;9,10-dinaphthalen-1-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 159441922
7-(9,9-dimethylfluoren-2-yl)-12-phenanthren-2-ylbenzo[a]anthracene
CID 58535895
10-(9,9-dimethylfluoren-2-yl)-2-phenanthren-9-yl-9-phenylanthracene
CID 140863269

Frequently Asked Questions

What is the IUPAC name of 6-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]chrysene?
The IUPAC name of 6-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]chrysene (CID 59194713) is 6-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]chrysene.
What is the SMILES notation for 6-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]chrysene?
The canonical SMILES for 6-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]chrysene is Cc1ccc2c(-c3cc4c5ccccc5ccc4c4ccccc34)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2c1.
What is the InChIKey of 6-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]chrysene?
The InChIKey is HTLZKXDHEOQTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34/c1-29-20-23-40-42(26-29)46(31-22-25-37-36-16-10-11-19-44(36)48(2,3)45(37)27-31)38-17-8-9-18-39(38)47(40)43-28-41-32-13-5-4-12-30(32)21-24-35(41)33-14-6-7-15-34(33)43/h4-28H,1-3H3.
What are the key properties of 6-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]chrysene?
6-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]chrysene has a molecular weight of 610.80 g/mol, XLogP of 13.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]chrysene is sourced from PubChem (CID 59194713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).