7-[4-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)-2,3-bis(ethenyl)naphthalen-1-yl]-9,9-dimethyl-2,3-dihydrofluorene

C44H40 — CID 145093522

IUPAC7-[4-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)-2,3-bis(ethenyl)naphthalen-1-yl]-9,9-dimethyl-2,3-dihydrofluorene
SMILESC=Cc1c(C=C)c(-c2ccc3c(c2)C(C)(C)C2=CCCC=C23)c2ccccc2c1-c1ccc2c(c1)C(C)(C)C1=CCCC=C12
InChIInChI=1S/C44H40/c1-7-29-30(8-2)42(28-22-24-34-32-16-12-14-20-38(32)44(5,6)40(34)26-28)36-18-10-9-17-35(36)41(29)27-21-23-33-31-15-11-13-19-37(31)43(3,4)39(33)25-27/h7-10,15-26H,1-2,11-14H2,3-6H3
InChIKeyDHPOGIKTOQKAHY-UHFFFAOYSA-N
MW568.80 g/mol
LogP12.25
Rot. Bonds4

About 7-[4-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)-2,3-bis(ethenyl)naphthalen-1-yl]-9,9-dimethyl-2,3-dihydrofluorene

7-[4-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)-2,3-bis(ethenyl)naphthalen-1-yl]-9,9-dimethyl-2,3-dihydrofluorene (PubChem CID 145093522) has the molecular formula C44H40 and a molecular weight of 568.80 g/mol. Its IUPAC name is 7-[4-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)-2,3-bis(ethenyl)naphthalen-1-yl]-9,9-dimethyl-2,3-dihydrofluorene.

Molecular Properties

Compound Name7-[4-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)-2,3-bis(ethenyl)naphthalen-1-yl]-9,9-dimethyl-2,3-dihydrofluorene
PubChem CID145093522
Molecular FormulaC44H40
Molecular Weight568.80 g/mol
Exact Mass568.31
IUPAC Name7-[4-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)-2,3-bis(ethenyl)naphthalen-1-yl]-9,9-dimethyl-2,3-dihydrofluorene
SMILESC=Cc1c(C=C)c(-c2ccc3c(c2)C(C)(C)C2=CCCC=C23)c2ccccc2c1-c1ccc2c(c1)C(C)(C)C1=CCCC=C12
InChIInChI=1S/C44H40/c1-7-29-30(8-2)42(28-22-24-34-32-16-12-14-20-38(32)44(5,6)40(34)26-28)36-18-10-9-17-35(36)41(29)27-21-23-33-31-15-11-13-19-37(31)43(3,4)39(33)25-27/h7-10,15-26H,1-2,11-14H2,3-6H3
InChIKeyDHPOGIKTOQKAHY-UHFFFAOYSA-N
XLogP12.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.80
LogP ≤ 512.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 7-[4-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)-2,3-bis(ethenyl)naphthalen-1-yl]-9,9-dimethyl-2,3-dihydrofluorene 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-N-(4-phenylphenyl)-N-(4-triphenylen-2-ylphenyl)-6,7-dihydrofluoren-2-amine
CID 137483501
9,9-dimethyl-2,3-dihydrofluorene
CID 123727902
9,9-dimethyl-6-phenyl-2,3-dihydrofluorene
CID 178165588
2-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-9,10-bis(9,9-dimethylfluoren-2-yl)anthracene
CID 91336335
2-[2'-(9,9'-spirobi[fluorene]-2-yl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-yl]-9,9'-spirobi[fluorene]
CID 144602980
9-(1-ethenyl-2,3,3-trimethylinden-5-yl)-10-phenylanthracene
CID 123359012
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene
CID 20822329
9-(4-fluorophenyl)-10-[7-[10-(4-fluorophenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
CID 20821966
9-[9,9-dimethyl-7-[10-[10-(3-phenylphenyl)anthracen-9-yl]anthracen-9-yl]fluoren-2-yl]-10-(3-phenylphenyl)anthracene
CID 20822310
9-[4-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphthalen-1-yl]-10-phenylanthracene
CID 58174880
2-[9,10-bis(9,9-dimethylfluoren-2-yl)-6,7-dihydroanthracen-2-yl]-9,9'-spirobi[fluorene]
CID 143809004
7,9,9-trimethyl-6-(2-methylphenyl)-2,3-dihydrofluorene
CID 145017109

Frequently Asked Questions

What is the IUPAC name of 7-[4-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)-2,3-bis(ethenyl)naphthalen-1-yl]-9,9-dimethyl-2,3-dihydrofluorene?
The IUPAC name of 7-[4-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)-2,3-bis(ethenyl)naphthalen-1-yl]-9,9-dimethyl-2,3-dihydrofluorene (CID 145093522) is 7-[4-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)-2,3-bis(ethenyl)naphthalen-1-yl]-9,9-dimethyl-2,3-dihydrofluorene.
What is the SMILES notation for 7-[4-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)-2,3-bis(ethenyl)naphthalen-1-yl]-9,9-dimethyl-2,3-dihydrofluorene?
The canonical SMILES for 7-[4-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)-2,3-bis(ethenyl)naphthalen-1-yl]-9,9-dimethyl-2,3-dihydrofluorene is C=Cc1c(C=C)c(-c2ccc3c(c2)C(C)(C)C2=CCCC=C23)c2ccccc2c1-c1ccc2c(c1)C(C)(C)C1=CCCC=C12.
What is the InChIKey of 7-[4-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)-2,3-bis(ethenyl)naphthalen-1-yl]-9,9-dimethyl-2,3-dihydrofluorene?
The InChIKey is DHPOGIKTOQKAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H40/c1-7-29-30(8-2)42(28-22-24-34-32-16-12-14-20-38(32)44(5,6)40(34)26-28)36-18-10-9-17-35(36)41(29)27-21-23-33-31-15-11-13-19-37(31)43(3,4)39(33)25-27/h7-10,15-26H,1-2,11-14H2,3-6H3.
What are the key properties of 7-[4-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)-2,3-bis(ethenyl)naphthalen-1-yl]-9,9-dimethyl-2,3-dihydrofluorene?
7-[4-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)-2,3-bis(ethenyl)naphthalen-1-yl]-9,9-dimethyl-2,3-dihydrofluorene has a molecular weight of 568.80 g/mol, XLogP of 12.25, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)-2,3-bis(ethenyl)naphthalen-1-yl]-9,9-dimethyl-2,3-dihydrofluorene is sourced from PubChem (CID 145093522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).