10-[3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-11,11-dimethylbenzo[a]fluorene

C54H40 — CID 140724174

IUPAC10-[3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-11,11-dimethylbenzo[a]fluorene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cccc(-c5cccc6c5C(C)(C)c5c-6ccc6ccccc56)c4)c4ccccc34)cc21
InChIInChI=1S/C54H40/c1-53(2)47-26-12-11-19-39(47)40-29-28-36(32-48(40)53)50-43-22-9-7-20-41(43)49(42-21-8-10-23-44(42)50)35-17-13-16-34(31-35)38-24-14-25-45-46-30-27-33-15-5-6-18-37(33)51(46)54(3,4)52(38)45/h5-32H,1-4H3
InChIKeySZPABSORLJWMHD-UHFFFAOYSA-N
MW688.91 g/mol
LogP14.76
Rot. Bonds3

About 10-[3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-11,11-dimethylbenzo[a]fluorene

10-[3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-11,11-dimethylbenzo[a]fluorene (PubChem CID 140724174) has the molecular formula C54H40 and a molecular weight of 688.91 g/mol. Its IUPAC name is 10-[3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-11,11-dimethylbenzo[a]fluorene.

Molecular Properties

Compound Name10-[3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-11,11-dimethylbenzo[a]fluorene
PubChem CID140724174
Molecular FormulaC54H40
Molecular Weight688.91 g/mol
Exact Mass688.31
IUPAC Name10-[3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-11,11-dimethylbenzo[a]fluorene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cccc(-c5cccc6c5C(C)(C)c5c-6ccc6ccccc56)c4)c4ccccc34)cc21
InChIInChI=1S/C54H40/c1-53(2)47-26-12-11-19-39(47)40-29-28-36(32-48(40)53)50-43-22-9-7-20-41(43)49(42-21-8-10-23-44(42)50)35-17-13-16-34(31-35)38-24-14-25-45-46-30-27-33-15-5-6-18-37(33)51(46)54(3,4)52(38)45/h5-32H,1-4H3
InChIKeySZPABSORLJWMHD-UHFFFAOYSA-N
XLogP14.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.91
LogP ≤ 514.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 10-[3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-11,11-dimethylbenzo[a]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

11,11-dimethyl-10-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[a]fluorene
CID 140724696
9,10-bis(9,9-dimethylfluoren-2-yl)anthracene;9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;11,11-dimethyl-9-(10-phenylanthracen-9-yl)benzo[a]fluorene
CID 160962902
8-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]-11,11-dimethylbenzo[a]fluorene
CID 140724296
1-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-3-yl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene
CID 161100523
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-diphenylanthracene
CID 159887994
11,11-dimethyl-9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]fluorene
CID 144583230
11,11-dimethyl-9-(10-phenanthren-3-ylanthracen-9-yl)benzo[a]fluorene
CID 58194555
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
2-(9,9-dimethylfluoren-2-yl)-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 143930053
11,11-dimethyl-10-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[a]fluorene;11,11-dimethyl-10-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzo[a]fluorene
CID 157498925
9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;9,10-dinaphthalen-1-ylanthracene;9-naphthalen-1-yl-10-(3-phenanthren-1-ylphenyl)anthracene
CID 163960045
11,11-dimethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-3-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-8-[3-(10-phenylanthracen-9-yl)phenyl]benzo[a]fluorene
CID 159897883

Frequently Asked Questions

What is the IUPAC name of 10-[3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-11,11-dimethylbenzo[a]fluorene?
The IUPAC name of 10-[3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-11,11-dimethylbenzo[a]fluorene (CID 140724174) is 10-[3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-11,11-dimethylbenzo[a]fluorene.
What is the SMILES notation for 10-[3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-11,11-dimethylbenzo[a]fluorene?
The canonical SMILES for 10-[3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-11,11-dimethylbenzo[a]fluorene is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cccc(-c5cccc6c5C(C)(C)c5c-6ccc6ccccc56)c4)c4ccccc34)cc21.
What is the InChIKey of 10-[3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-11,11-dimethylbenzo[a]fluorene?
The InChIKey is SZPABSORLJWMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40/c1-53(2)47-26-12-11-19-39(47)40-29-28-36(32-48(40)53)50-43-22-9-7-20-41(43)49(42-21-8-10-23-44(42)50)35-17-13-16-34(31-35)38-24-14-25-45-46-30-27-33-15-5-6-18-37(33)51(46)54(3,4)52(38)45/h5-32H,1-4H3.
What are the key properties of 10-[3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-11,11-dimethylbenzo[a]fluorene?
10-[3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-11,11-dimethylbenzo[a]fluorene has a molecular weight of 688.91 g/mol, XLogP of 14.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-11,11-dimethylbenzo[a]fluorene is sourced from PubChem (CID 140724174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).