3-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene

C51H34 — CID 58569073

IUPAC3-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene
SMILESCC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(-c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c4ccccc34)cc21
InChIInChI=1S/C51H34/c1-51(2)48-29-34(33-19-18-31-10-3-4-11-32(31)28-33)20-22-43(48)44-23-21-35(30-49(44)51)36-24-25-41(38-13-6-5-12-37(36)38)42-26-27-47-40-15-8-7-14-39(40)45-16-9-17-46(42)50(45)47/h3-30H,1-2H3
InChIKeyOPJJPBRMRGPLCH-UHFFFAOYSA-N
MW646.83 g/mol
LogP14.10
Rot. Bonds3

About 3-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene

3-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene (PubChem CID 58569073) has the molecular formula C51H34 and a molecular weight of 646.83 g/mol. Its IUPAC name is 3-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene.

Molecular Properties

Compound Name3-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene
PubChem CID58569073
Molecular FormulaC51H34
Molecular Weight646.83 g/mol
Exact Mass646.27
IUPAC Name3-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene
SMILESCC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(-c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c4ccccc34)cc21
InChIInChI=1S/C51H34/c1-51(2)48-29-34(33-19-18-31-10-3-4-11-32(31)28-33)20-22-43(48)44-23-21-35(30-49(44)51)36-24-25-41(38-13-6-5-12-37(36)38)42-26-27-47-40-15-8-7-14-39(40)45-16-9-17-46(42)50(45)47/h3-30H,1-2H3
InChIKeyOPJJPBRMRGPLCH-UHFFFAOYSA-N
XLogP14.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.83
LogP ≤ 514.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene 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

3-[4-[4-[4-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]fluoranthene
CID 123322514
3-[6-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]fluoranthene
CID 58569042
3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]fluoranthene
CID 58569056
3-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]fluoranthene
CID 58569433
tris(1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene);tris(1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyrene)
CID 159354982
3-[5-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene
CID 58569600
9,9-dimethyl-2-naphthalen-2-yl-7-(3-naphthalen-1-ylphenyl)fluorene
CID 59217063
3-[4-[7-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthene
CID 123377158
1-[6-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-2-yl]pyrene
CID 59217278
3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-5-phenylphenyl]fluoranthene
CID 58569427
2-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluorene
CID 123907813
3-[3-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenyl]fluoranthene
CID 58569543

Frequently Asked Questions

What is the IUPAC name of 3-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene?
The IUPAC name of 3-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene (CID 58569073) is 3-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene.
What is the SMILES notation for 3-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene?
The canonical SMILES for 3-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene is CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(-c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c4ccccc34)cc21.
What is the InChIKey of 3-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene?
The InChIKey is OPJJPBRMRGPLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34/c1-51(2)48-29-34(33-19-18-31-10-3-4-11-32(31)28-33)20-22-43(48)44-23-21-35(30-49(44)51)36-24-25-41(38-13-6-5-12-37(36)38)42-26-27-47-40-15-8-7-14-39(40)45-16-9-17-46(42)50(45)47/h3-30H,1-2H3.
What are the key properties of 3-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene?
3-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene has a molecular weight of 646.83 g/mol, XLogP of 14.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene is sourced from PubChem (CID 58569073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).