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

C43H30 — CID 140724269

IUPAC7,7-dimethyl-8-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]fluorene
SMILESCC1(C)c2ccc3ccccc3c2-c2cccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c21
InChIInChI=1S/C43H30/c1-43(2)38-25-24-28-13-5-6-15-31(28)41(38)37-21-11-20-36(42(37)43)40-34-18-9-7-16-32(34)39(33-17-8-10-19-35(33)40)30-23-22-27-12-3-4-14-29(27)26-30/h3-26H,1-2H3
InChIKeyIPQOXEYHMPTZQL-UHFFFAOYSA-N
MW546.71 g/mol
LogP11.94
Rot. Bonds2

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

7,7-dimethyl-8-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]fluorene (PubChem CID 140724269) has the molecular formula C43H30 and a molecular weight of 546.71 g/mol. Its IUPAC name is 7,7-dimethyl-8-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]fluorene.

Molecular Properties

Compound Name7,7-dimethyl-8-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]fluorene
PubChem CID140724269
Molecular FormulaC43H30
Molecular Weight546.71 g/mol
Exact Mass546.23
IUPAC Name7,7-dimethyl-8-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]fluorene
SMILESCC1(C)c2ccc3ccccc3c2-c2cccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c21
InChIInChI=1S/C43H30/c1-43(2)38-25-24-28-13-5-6-15-31(28)41(38)37-21-11-20-36(42(37)43)40-34-18-9-7-16-32(34)39(33-17-8-10-19-35(33)40)30-23-22-27-12-3-4-14-29(27)26-30/h3-26H,1-2H3
InChIKeyIPQOXEYHMPTZQL-UHFFFAOYSA-N
XLogP11.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.71
LogP ≤ 511.94
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-[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
7,7-dimethyl-8-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[c]fluorene
CID 140724382
7,7-dimethyl-8-[4-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene
CID 140724149
7,7-dimethyl-11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 140724375
7,7-dimethyl-8-[10-(2-phenylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 140724953
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
9-(9,10-dinaphthalen-2-ylanthracen-2-yl)-7,7-dimethylbenzo[c]fluorene
CID 58323017
7,7-dimethyl-10-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzo[c]fluorene;7,7-dimethyl-10-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene
CID 157086899
ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 91401240
7,7-dimethyl-9-naphthalen-2-yl-4-[10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 163838484
7,7-dimethyl-10-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 140724252
9-[10-(11,11-dimethylbenzo[a]fluoren-9-yl)-2-naphthalen-2-ylanthracen-9-yl]-11,11-dimethylbenzo[a]fluorene;2-[10-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-naphthalen-2-ylanthracen-9-yl]-11,11-dimethylbenzo[b]fluorene;9-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-naphthalen-2-ylanthracen-9-yl]-7,7-dimethylbenzo[c]fluorene;9-(9,10-dinaphthalen-2-ylanthracen-2-yl)-11,11-dimethylbenzo[a]fluorene
CID 158851609

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-8-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]fluorene?
The IUPAC name of 7,7-dimethyl-8-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]fluorene (CID 140724269) is 7,7-dimethyl-8-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]fluorene.
What is the SMILES notation for 7,7-dimethyl-8-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]fluorene?
The canonical SMILES for 7,7-dimethyl-8-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]fluorene is CC1(C)c2ccc3ccccc3c2-c2cccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c21.
What is the InChIKey of 7,7-dimethyl-8-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]fluorene?
The InChIKey is IPQOXEYHMPTZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30/c1-43(2)38-25-24-28-13-5-6-15-31(28)41(38)37-21-11-20-36(42(37)43)40-34-18-9-7-16-32(34)39(33-17-8-10-19-35(33)40)30-23-22-27-12-3-4-14-29(27)26-30/h3-26H,1-2H3.
What are the key properties of 7,7-dimethyl-8-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]fluorene?
7,7-dimethyl-8-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]fluorene has a molecular weight of 546.71 g/mol, XLogP of 11.94, 2 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-naphthalen-2-ylanthracen-9-yl)benzo[c]fluorene is sourced from PubChem (CID 140724269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).