7,7-dimethyl-8-[10-(2-phenylphenyl)anthracen-9-yl]benzo[c]fluorene

C45H32 — CID 140724953

IUPAC7,7-dimethyl-8-[10-(2-phenylphenyl)anthracen-9-yl]benzo[c]fluorene
SMILESCC1(C)c2ccc3ccccc3c2-c2cccc(-c3c4ccccc4c(-c4ccccc4-c4ccccc4)c4ccccc34)c21
InChIInChI=1S/C45H32/c1-45(2)40-28-27-30-17-6-7-19-32(30)43(40)39-26-14-25-38(44(39)45)42-36-23-12-10-21-34(36)41(35-22-11-13-24-37(35)42)33-20-9-8-18-31(33)29-15-4-3-5-16-29/h3-28H,1-2H3
InChIKeyTVYLGHYQVFZXLF-UHFFFAOYSA-N
MW572.75 g/mol
LogP12.45
Rot. Bonds3

About 7,7-dimethyl-8-[10-(2-phenylphenyl)anthracen-9-yl]benzo[c]fluorene

7,7-dimethyl-8-[10-(2-phenylphenyl)anthracen-9-yl]benzo[c]fluorene (PubChem CID 140724953) has the molecular formula C45H32 and a molecular weight of 572.75 g/mol. Its IUPAC name is 7,7-dimethyl-8-[10-(2-phenylphenyl)anthracen-9-yl]benzo[c]fluorene.

Molecular Properties

Compound Name7,7-dimethyl-8-[10-(2-phenylphenyl)anthracen-9-yl]benzo[c]fluorene
PubChem CID140724953
Molecular FormulaC45H32
Molecular Weight572.75 g/mol
Exact Mass572.25
IUPAC Name7,7-dimethyl-8-[10-(2-phenylphenyl)anthracen-9-yl]benzo[c]fluorene
SMILESCC1(C)c2ccc3ccccc3c2-c2cccc(-c3c4ccccc4c(-c4ccccc4-c4ccccc4)c4ccccc34)c21
InChIInChI=1S/C45H32/c1-45(2)40-28-27-30-17-6-7-19-32(30)43(40)39-26-14-25-38(44(39)45)42-36-23-12-10-21-34(36)41(35-22-11-13-24-37(35)42)33-20-9-8-18-31(33)29-15-4-3-5-16-29/h3-28H,1-2H3
InChIKeyTVYLGHYQVFZXLF-UHFFFAOYSA-N
XLogP12.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.75
LogP ≤ 512.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

7,7-dimethyl-8-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[c]fluorene
CID 140724382
7,7-dimethyl-8-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]fluorene
CID 140724269
7,7-dimethyl-8-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene;7,7-dimethyl-8-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene
CID 161283904
7,7-dimethyl-8-[4-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene
CID 140724149
7,7-dimethyl-8-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene;7,7-dimethyl-8-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene
CID 158483199
2-[4-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168777873
7,7-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene
CID 140725023
1-[10-(7,7-dimethylbenzo[g]fluoren-8-yl)anthracen-9-yl]dibenzofuran
CID 122425655
11,11-dimethyl-8-[10-(2-phenylphenyl)anthracen-9-yl]benzo[a]fluorene;11,11-dimethyl-9-[10-(2-phenylphenyl)anthracen-9-yl]benzo[a]fluorene;11,11-dimethyl-2-[10-(2-phenylphenyl)anthracen-9-yl]benzo[b]fluorene;11,11-dimethyl-3-[10-(2-phenylphenyl)anthracen-9-yl]benzo[b]fluorene;7,7-dimethyl-9-[10-(2-phenylphenyl)anthracen-9-yl]benzo[c]fluorene;7,7-dimethyl-10-[10-(2-phenylphenyl)anthracen-9-yl]benzo[c]fluorene;methane
CID 163496973
25,25-dimethylhexacyclo[12.11.0.02,11.05,10.015,24.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(24),16,18,20,22-dodecaene;ethane
CID 90810570
7,7-dimethyl-10-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]benzo[c]fluorene
CID 162108873
2-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-(4-phenylphenyl)pyrimidine
CID 168777408

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-8-[10-(2-phenylphenyl)anthracen-9-yl]benzo[c]fluorene?
The IUPAC name of 7,7-dimethyl-8-[10-(2-phenylphenyl)anthracen-9-yl]benzo[c]fluorene (CID 140724953) is 7,7-dimethyl-8-[10-(2-phenylphenyl)anthracen-9-yl]benzo[c]fluorene.
What is the SMILES notation for 7,7-dimethyl-8-[10-(2-phenylphenyl)anthracen-9-yl]benzo[c]fluorene?
The canonical SMILES for 7,7-dimethyl-8-[10-(2-phenylphenyl)anthracen-9-yl]benzo[c]fluorene is CC1(C)c2ccc3ccccc3c2-c2cccc(-c3c4ccccc4c(-c4ccccc4-c4ccccc4)c4ccccc34)c21.
What is the InChIKey of 7,7-dimethyl-8-[10-(2-phenylphenyl)anthracen-9-yl]benzo[c]fluorene?
The InChIKey is TVYLGHYQVFZXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32/c1-45(2)40-28-27-30-17-6-7-19-32(30)43(40)39-26-14-25-38(44(39)45)42-36-23-12-10-21-34(36)41(35-22-11-13-24-37(35)42)33-20-9-8-18-31(33)29-15-4-3-5-16-29/h3-28H,1-2H3.
What are the key properties of 7,7-dimethyl-8-[10-(2-phenylphenyl)anthracen-9-yl]benzo[c]fluorene?
7,7-dimethyl-8-[10-(2-phenylphenyl)anthracen-9-yl]benzo[c]fluorene has a molecular weight of 572.75 g/mol, XLogP of 12.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-8-[10-(2-phenylphenyl)anthracen-9-yl]benzo[c]fluorene is sourced from PubChem (CID 140724953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).