2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene

C40H32 — CID 59133432

IUPAC2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc34)cc21
InChIInChI=1S/C40H32/c1-39(2)35-15-9-7-13-31(35)33-19-17-25(23-37(33)39)27-21-22-28(30-12-6-5-11-29(27)30)26-18-20-34-32-14-8-10-16-36(32)40(3,4)38(34)24-26/h5-24H,1-4H3
InChIKeyDBZHJXTVBLRLFH-UHFFFAOYSA-N
MW512.70 g/mol
LogP10.79
Rot. Bonds2

About 2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene

2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene (PubChem CID 59133432) has the molecular formula C40H32 and a molecular weight of 512.70 g/mol. Its IUPAC name is 2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene.

Molecular Properties

Compound Name2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
PubChem CID59133432
Molecular FormulaC40H32
Molecular Weight512.70 g/mol
Exact Mass512.25
IUPAC Name2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc34)cc21
InChIInChI=1S/C40H32/c1-39(2)35-15-9-7-13-31(35)33-19-17-25(23-37(33)39)27-21-22-28(30-12-6-5-11-29(27)30)26-18-20-34-32-14-8-10-16-36(32)40(3,4)38(34)24-26/h5-24H,1-4H3
InChIKeyDBZHJXTVBLRLFH-UHFFFAOYSA-N
XLogP10.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.70
LogP ≤ 510.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-10-(4-methylphenyl)anthracene
CID 142701707
9-(9,9-dimethylfluoren-2-yl)-15-[4-[15-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58479671
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
9,9-dimethyl-2-(2-methylphenyl)fluorene
CID 58389997
7,15-bis(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene
CID 118145607
2-[7-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-2-yl]triphenylene
CID 58569633
2-(9,9-dimethylfluoren-2-yl)-7-[7-[9,9-dimethyl-7-(2-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58881021
3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]fluoranthene
CID 58569056
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 118427220
2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene
CID 58351434
2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 59133445

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene?
The IUPAC name of 2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene (CID 59133432) is 2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene.
What is the SMILES notation for 2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene?
The canonical SMILES for 2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc34)cc21.
What is the InChIKey of 2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene?
The InChIKey is DBZHJXTVBLRLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32/c1-39(2)35-15-9-7-13-31(35)33-19-17-25(23-37(33)39)27-21-22-28(30-12-6-5-11-29(27)30)26-18-20-34-32-14-8-10-16-36(32)40(3,4)38(34)24-26/h5-24H,1-4H3.
What are the key properties of 2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene?
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene has a molecular weight of 512.70 g/mol, XLogP of 10.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene is sourced from PubChem (CID 59133432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).