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

C46H46 — CID 123504405

IUPAC8-[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
SMILESCC1(C)C2=C(CCC=C2)C2=C1C=C(C1=CC3=C(CC1)C1=C(C=C(c4ccc5ccc6c7c5c4=CCC7CCC=6)CC1)C3(C)C)CC2
InChIInChI=1S/C46H46/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/h6,8,11-14,19,23-26,28H,5,7,9-10,15-18,20-22H2,1-4H3
InChIKeyBPMLINOJJZDVND-UHFFFAOYSA-N
MW598.87 g/mol
LogP10.92
Rot. Bonds2

About 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

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 (PubChem CID 123504405) has the molecular formula C46H46 and a molecular weight of 598.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-[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
PubChem CID123504405
Molecular FormulaC46H46
Molecular Weight598.87 g/mol
Exact Mass598.36
IUPAC Name8-[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
SMILESCC1(C)C2=C(CCC=C2)C2=C1C=C(C1=CC3=C(CC1)C1=C(C=C(c4ccc5ccc6c7c5c4=CCC7CCC=6)CC1)C3(C)C)CC2
InChIInChI=1S/C46H46/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/h6,8,11-14,19,23-26,28H,5,7,9-10,15-18,20-22H2,1-4H3
InChIKeyBPMLINOJJZDVND-UHFFFAOYSA-N
XLogP10.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.87
LogP ≤ 510.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 with MolForge

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Related Compounds

2-(9,9-dimethyl-3,4,5,6-tetrahydrofluoren-2-yl)-9,9-dimethyl-3,4,5,6-tetrahydrofluorene
CID 123554615
3-[6-(7,8,8a,9-tetrahydropyren-1-yl)-3,4,7,8-tetrahydronaphthalen-2-yl]-1,2,10,10a-tetrahydropyrene
CID 123753172
8-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]-1,2,10,10a-tetrahydropyrene
CID 123924122
7-[3-[7-[3-(5,5a,6,7-tetrahydropyren-2-yl)-5-cyclohexa-1,3-dien-1-yloxycyclohexa-1,3-dien-1-yl]-9,9-dimethyl-5,6-dihydrofluoren-2-yl]-5-phenoxyphenyl]-1,2,10,10a-tetrahydropyrene
CID 89357461
6,6,28,28-tetramethylundecacyclo[32.6.2.02,29.03,27.05,25.07,24.08,17.011,16.018,23.031,41.038,42]dotetraconta-1(40),2(29),3(27),7(24),8(17),9,13,15,18,20,22,25,30,32,34,41-hexadecaene
CID 123821787
6,9,9-trimethyl-3,4-dihydrofluorene
CID 144639578
7,9,9-trimethyl-3,4-dihydrofluorene
CID 143620437
N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-(6-phenylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine
CID 155114067
5-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-11-N,17-N-bis(9,9-dimethylfluoren-2-yl)-8,8,14,14,22,22-hexamethyl-5-N,11-N,17-N-trinaphthalen-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine
CID 89065475
(9,9-dimethyl-3,4,5,6-tetrahydrofluoren-1-yl)methanamine
CID 144827686
2-(6-tert-butyl-6,7-dihydropyren-1-yl)-4,5-dihydro-1-benzofuran
CID 145470060
1-[2-(6,7-dihydropyren-1-yl)-10,10-dimethyl-5H-benzo[a]azulen-8-yl]pyrene;ethane;propane
CID 143856161

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)C2=C(CCC=C2)C2=C1C=C(C1=CC3=C(CC1)C1=C(C=C(c4ccc5ccc6c7c5c4=CCC7CCC=6)CC1)C3(C)C)CC2.
What is the InChIKey of 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?
The InChIKey is BPMLINOJJZDVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H46/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/h6,8,11-14,19,23-26,28H,5,7,9-10,15-18,20-22H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 598.87 g/mol, XLogP of 10.92, 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-dimethyl-3,4,5,6-tetrahydrofluoren-2-yl)-9,9-dimethyl-3,4,5,6-tetrahydrofluoren-2-yl]-1,2,10,10a-tetrahydropyrene is sourced from PubChem (CID 123504405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).