9,9-bis(4-methylphenyl)-4-naphthalen-1-ylfluorene;9,9-dimethyl-1-naphthalen-1-ylfluorene;ethane;hydroiodide

C64H55I — CID 144939082

IUPAC9,9-bis(4-methylphenyl)-4-naphthalen-1-ylfluorene;9,9-dimethyl-1-naphthalen-1-ylfluorene;ethane;hydroiodide
SMILESCC.CC1(C)c2ccccc2-c2cccc(-c3cccc4ccccc34)c21.Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3c(-c4cccc5ccccc45)cccc32)cc1.I
InChIInChI=1S/C37H28.C25H20.C2H6.HI/c1-25-17-21-28(22-18-25)37(29-23-19-26(2)20-24-29)34-15-6-5-12-33(34)36-32(14-8-16-35(36)37)31-13-7-10-27-9-3-4-11-30(27)31;1-25(2)23-16-6-5-12-20(23)22-15-8-14-21(24(22)25)19-13-7-10-17-9-3-4-11-18(17)19;1-2;/h3-24H,1-2H3;3-16H,1-2H3;1-2H3;1H
InChIKeyNVKVJBTYAIGCRK-UHFFFAOYSA-N
MW951.05 g/mol
LogP17.94
Rot. Bonds4

About 9,9-bis(4-methylphenyl)-4-naphthalen-1-ylfluorene;9,9-dimethyl-1-naphthalen-1-ylfluorene;ethane;hydroiodide

9,9-bis(4-methylphenyl)-4-naphthalen-1-ylfluorene;9,9-dimethyl-1-naphthalen-1-ylfluorene;ethane;hydroiodide (PubChem CID 144939082) has the molecular formula C64H55I and a molecular weight of 951.05 g/mol. Its IUPAC name is 9,9-bis(4-methylphenyl)-4-naphthalen-1-ylfluorene;9,9-dimethyl-1-naphthalen-1-ylfluorene;ethane;hydroiodide.

Molecular Properties

Compound Name9,9-bis(4-methylphenyl)-4-naphthalen-1-ylfluorene;9,9-dimethyl-1-naphthalen-1-ylfluorene;ethane;hydroiodide
PubChem CID144939082
Molecular FormulaC64H55I
Molecular Weight951.05 g/mol
Exact Mass950.33
IUPAC Name9,9-bis(4-methylphenyl)-4-naphthalen-1-ylfluorene;9,9-dimethyl-1-naphthalen-1-ylfluorene;ethane;hydroiodide
SMILESCC.CC1(C)c2ccccc2-c2cccc(-c3cccc4ccccc34)c21.Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3c(-c4cccc5ccccc45)cccc32)cc1.I
InChIInChI=1S/C37H28.C25H20.C2H6.HI/c1-25-17-21-28(22-18-25)37(29-23-19-26(2)20-24-29)34-15-6-5-12-33(34)36-32(14-8-16-35(36)37)31-13-7-10-27-9-3-4-11-30(27)31;1-25(2)23-16-6-5-12-20(23)22-15-8-14-21(24(22)25)19-13-7-10-17-9-3-4-11-18(17)19;1-2;/h3-24H,1-2H3;3-16H,1-2H3;1-2H3;1H
InChIKeyNVKVJBTYAIGCRK-UHFFFAOYSA-N
XLogP17.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500951.05
LogP ≤ 517.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9,9-bis(4-methylphenyl)-4-naphthalen-1-ylfluorene;9,9-dimethyl-1-naphthalen-1-ylfluorene;ethane;hydroiodide 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

9,9-dimethyl-1-naphthalen-1-ylfluorene
CID 144938636
ethane;4'-[1-(4-methylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene]
CID 142592875
ethane;4-methyl-9,9-bis(4-methylphenyl)fluorene
CID 144938887
9,9-bis(4-methylphenyl)fluorene;propane
CID 144938703
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 167324312
11,11-dimethylbenzo[a]fluorene;ethane
CID 144938734
tetrakis(9,9-dimethylfluorene);tetrakis(9,9-diphenylfluorene);ethane;toluene
CID 157389689
5-(9,9-dimethylfluoren-1-yl)-8-naphthalen-1-ylbenzo[c]phenanthrene
CID 59282310
9-[3-[9-[3,5-bis(10-naphthalen-1-ylanthracen-9-yl)phenyl]fluoren-9-yl]-5-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-10-naphthalen-1-ylanthracene;9-[3-[9-[3,5-bis[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]fluoren-9-yl]-5-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene
CID 159691196
9,9-dimethyl-2-(4-methylphenyl)fluorene;2-methyl-9,9-diphenylfluorene;1-[4-(4-methylphenyl)phenyl]naphthalene;2-[4-(4-methylphenyl)phenyl]naphthalene
CID 157431212
5-(9,9-dimethylfluoren-1-yl)benzo[c]phenanthrene
CID 140710620
10,10,12,12-tetramethyl-11-(10-naphthalen-1-ylanthracen-9-yl)indeno[2,1-b]fluorene
CID 160577000

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(4-methylphenyl)-4-naphthalen-1-ylfluorene;9,9-dimethyl-1-naphthalen-1-ylfluorene;ethane;hydroiodide?
The IUPAC name of 9,9-bis(4-methylphenyl)-4-naphthalen-1-ylfluorene;9,9-dimethyl-1-naphthalen-1-ylfluorene;ethane;hydroiodide (CID 144939082) is 9,9-bis(4-methylphenyl)-4-naphthalen-1-ylfluorene;9,9-dimethyl-1-naphthalen-1-ylfluorene;ethane;hydroiodide.
What is the SMILES notation for 9,9-bis(4-methylphenyl)-4-naphthalen-1-ylfluorene;9,9-dimethyl-1-naphthalen-1-ylfluorene;ethane;hydroiodide?
The canonical SMILES for 9,9-bis(4-methylphenyl)-4-naphthalen-1-ylfluorene;9,9-dimethyl-1-naphthalen-1-ylfluorene;ethane;hydroiodide is CC.CC1(C)c2ccccc2-c2cccc(-c3cccc4ccccc34)c21.Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3c(-c4cccc5ccccc45)cccc32)cc1.I.
What is the InChIKey of 9,9-bis(4-methylphenyl)-4-naphthalen-1-ylfluorene;9,9-dimethyl-1-naphthalen-1-ylfluorene;ethane;hydroiodide?
The InChIKey is NVKVJBTYAIGCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28.C25H20.C2H6.HI/c1-25-17-21-28(22-18-25)37(29-23-19-26(2)20-24-29)34-15-6-5-12-33(34)36-32(14-8-16-35(36)37)31-13-7-10-27-9-3-4-11-30(27)31;1-25(2)23-16-6-5-12-20(23)22-15-8-14-21(24(22)25)19-13-7-10-17-9-3-4-11-18(17)19;1-2;/h3-24H,1-2H3;3-16H,1-2H3;1-2H3;1H.
What are the key properties of 9,9-bis(4-methylphenyl)-4-naphthalen-1-ylfluorene;9,9-dimethyl-1-naphthalen-1-ylfluorene;ethane;hydroiodide?
9,9-bis(4-methylphenyl)-4-naphthalen-1-ylfluorene;9,9-dimethyl-1-naphthalen-1-ylfluorene;ethane;hydroiodide has a molecular weight of 951.05 g/mol, XLogP of 17.94, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(4-methylphenyl)-4-naphthalen-1-ylfluorene;9,9-dimethyl-1-naphthalen-1-ylfluorene;ethane;hydroiodide is sourced from PubChem (CID 144939082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).