8-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]-1,2,10,10a-tetrahydropyrene

C46H40 — CID 123924122

IUPAC8-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]-1,2,10,10a-tetrahydropyrene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)C3CC(c5ccc6ccc7c8c6c5=CCC8CCC=7)=CC=C43)cc21
InChIInChI=1S/C46H40/c1-45(2)39-11-6-5-10-34(39)35-20-16-30(24-40(35)45)31-17-21-36-37-22-18-32(26-42(37)46(3,4)41(36)25-31)33-19-14-29-13-12-27-8-7-9-28-15-23-38(33)44(29)43(27)28/h5-6,8,10-14,16-25,28,42H,7,9,15,26H2,1-4H3
InChIKeyZPJSDHIQJCLTFC-UHFFFAOYSA-N
MW592.83 g/mol
LogP10.43
Rot. Bonds2

About 8-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]-1,2,10,10a-tetrahydropyrene

8-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]-1,2,10,10a-tetrahydropyrene (PubChem CID 123924122) has the molecular formula C46H40 and a molecular weight of 592.83 g/mol. Its IUPAC name is 8-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]-1,2,10,10a-tetrahydropyrene.

Molecular Properties

Compound Name8-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]-1,2,10,10a-tetrahydropyrene
PubChem CID123924122
Molecular FormulaC46H40
Molecular Weight592.83 g/mol
Exact Mass592.31
IUPAC Name8-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]-1,2,10,10a-tetrahydropyrene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)C3CC(c5ccc6ccc7c8c6c5=CCC8CCC=7)=CC=C43)cc21
InChIInChI=1S/C46H40/c1-45(2)39-11-6-5-10-34(39)35-20-16-30(24-40(35)45)31-17-21-36-37-22-18-32(26-42(37)46(3,4)41(36)25-31)33-19-14-29-13-12-27-8-7-9-28-15-23-38(33)44(29)43(27)28/h5-6,8,10-14,16-25,28,42H,7,9,15,26H2,1-4H3
InChIKeyZPJSDHIQJCLTFC-UHFFFAOYSA-N
XLogP10.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.83
LogP ≤ 510.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

N-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-N-[3-[4-[7-[4-[3-(N-(9,9-dimethylfluoren-2-yl)-3,5-diphenylanilino)phenyl]phenyl]-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 89356006
8-[7-(9,9-dimethyl-3,4,5,6-tetrahydrofluoren-2-yl)-9,9-dimethyl-3,4,5,6-tetrahydrofluoren-2-yl]-1,2,10,10a-tetrahydropyrene
CID 123504405
2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 59133445
2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene
CID 58351434
2-(9,9-dimethylfluoren-2-yl)-7-[7-[7-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 123392580
2-(9,9-dimethylfluoren-2-yl)-7-[9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 123709509
1-[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrene
CID 123435588
6,6,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]indeno[1,2-b]fluorene
CID 140710753
6,6,12,12-tetramethyl-2-(6-naphthalen-2-ylpyren-1-yl)indeno[1,2-b]fluorene
CID 59390153
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
17-tert-butyl-6-(9,9-dimethylfluoren-2-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene
CID 58402162

Frequently Asked Questions

What is the IUPAC name of 8-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]-1,2,10,10a-tetrahydropyrene?
The IUPAC name of 8-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]-1,2,10,10a-tetrahydropyrene (CID 123924122) is 8-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]-1,2,10,10a-tetrahydropyrene.
What is the SMILES notation for 8-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]-1,2,10,10a-tetrahydropyrene?
The canonical SMILES for 8-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]-1,2,10,10a-tetrahydropyrene is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)C3CC(c5ccc6ccc7c8c6c5=CCC8CCC=7)=CC=C43)cc21.
What is the InChIKey of 8-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]-1,2,10,10a-tetrahydropyrene?
The InChIKey is ZPJSDHIQJCLTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H40/c1-45(2)39-11-6-5-10-34(39)35-20-16-30(24-40(35)45)31-17-21-36-37-22-18-32(26-42(37)46(3,4)41(36)25-31)33-19-14-29-13-12-27-8-7-9-28-15-23-38(33)44(29)43(27)28/h5-6,8,10-14,16-25,28,42H,7,9,15,26H2,1-4H3.
What are the key properties of 8-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]-1,2,10,10a-tetrahydropyrene?
8-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]-1,2,10,10a-tetrahydropyrene has a molecular weight of 592.83 g/mol, XLogP of 10.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]-1,2,10,10a-tetrahydropyrene is sourced from PubChem (CID 123924122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).