ethane;4-(7-methylnaphthalen-2-yl)-9,9-diphenylfluorene

C40H38 — CID 144938996

IUPACethane;4-(7-methylnaphthalen-2-yl)-9,9-diphenylfluorene
SMILESCC.CC.Cc1ccc2ccc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2c1
InChIInChI=1S/C36H26.2C2H6/c1-25-19-20-26-21-22-27(24-28(26)23-25)31-16-10-18-34-35(31)32-15-8-9-17-33(32)36(34,29-11-4-2-5-12-29)30-13-6-3-7-14-30;2*1-2/h2-24H,1H3;2*1-2H3
InChIKeyKEPJDCPNTKVYMP-UHFFFAOYSA-N
MW518.74 g/mol
LogP11.23
Rot. Bonds3

About ethane;4-(7-methylnaphthalen-2-yl)-9,9-diphenylfluorene

ethane;4-(7-methylnaphthalen-2-yl)-9,9-diphenylfluorene (PubChem CID 144938996) has the molecular formula C40H38 and a molecular weight of 518.74 g/mol. Its IUPAC name is ethane;4-(7-methylnaphthalen-2-yl)-9,9-diphenylfluorene.

Molecular Properties

Compound Nameethane;4-(7-methylnaphthalen-2-yl)-9,9-diphenylfluorene
PubChem CID144938996
Molecular FormulaC40H38
Molecular Weight518.74 g/mol
Exact Mass518.30
IUPAC Nameethane;4-(7-methylnaphthalen-2-yl)-9,9-diphenylfluorene
SMILESCC.CC.Cc1ccc2ccc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2c1
InChIInChI=1S/C36H26.2C2H6/c1-25-19-20-26-21-22-27(24-28(26)23-25)31-16-10-18-34-35(31)32-15-8-9-17-33(32)36(34,29-11-4-2-5-12-29)30-13-6-3-7-14-30;2*1-2/h2-24H,1H3;2*1-2H3
InChIKeyKEPJDCPNTKVYMP-UHFFFAOYSA-N
XLogP11.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.74
LogP ≤ 511.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze ethane;4-(7-methylnaphthalen-2-yl)-9,9-diphenylfluorene 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

5-[4-[4-(6-methylnaphthalen-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]-9,9-bis(4-methylphenyl)-2-naphthalen-2-ylfluorene
CID 123832328
4-[7-methyl-6-[[4-[2-(7-methylnaphthalen-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]naphthalen-2-yl]-9,9-diphenylfluorene
CID 123544181
9-(4-chlorophenyl)-4-naphthalen-2-yl-9-phenylfluorene
CID 176760045
2-[7-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-4-naphthalen-2-yl-6-phenanthren-2-yl-1,3,5-triazine
CID 162196091
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline
CID 169019866
9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-3-methyl-5-(3-phenylphenyl)fluorene
CID 164755492
4-(3-methylphenyl)-9,9-diphenylfluorene;9-(2-methylphenyl)-9-phenylfluorene;9-(3-methylphenyl)-9-phenylfluorene;9-(4-methylphenyl)-9-phenylfluorene;2-methyl-9-phenyl-9-(4-phenylphenyl)fluorene
CID 159810853
ethane;4-methyl-9,9-bis(4-methylphenyl)fluorene
CID 144938887
4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 177266011
3-methyl-5-phenyl-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 164755332
9,9-bis(3,5-dibromophenyl)-3-methyl-5-phenylfluorene
CID 164755474
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline
CID 169020035

Frequently Asked Questions

What is the IUPAC name of ethane;4-(7-methylnaphthalen-2-yl)-9,9-diphenylfluorene?
The IUPAC name of ethane;4-(7-methylnaphthalen-2-yl)-9,9-diphenylfluorene (CID 144938996) is ethane;4-(7-methylnaphthalen-2-yl)-9,9-diphenylfluorene.
What is the SMILES notation for ethane;4-(7-methylnaphthalen-2-yl)-9,9-diphenylfluorene?
The canonical SMILES for ethane;4-(7-methylnaphthalen-2-yl)-9,9-diphenylfluorene is CC.CC.Cc1ccc2ccc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2c1.
What is the InChIKey of ethane;4-(7-methylnaphthalen-2-yl)-9,9-diphenylfluorene?
The InChIKey is KEPJDCPNTKVYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26.2C2H6/c1-25-19-20-26-21-22-27(24-28(26)23-25)31-16-10-18-34-35(31)32-15-8-9-17-33(32)36(34,29-11-4-2-5-12-29)30-13-6-3-7-14-30;2*1-2/h2-24H,1H3;2*1-2H3.
What are the key properties of ethane;4-(7-methylnaphthalen-2-yl)-9,9-diphenylfluorene?
ethane;4-(7-methylnaphthalen-2-yl)-9,9-diphenylfluorene has a molecular weight of 518.74 g/mol, XLogP of 11.23, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(7-methylnaphthalen-2-yl)-9,9-diphenylfluorene is sourced from PubChem (CID 144938996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).