18-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-6-(9,9-dimethylfluoren-2-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1,3(8),4,6,10,14(22),15(20),16,18,23-decaene

C52H40S2 — CID 70923638

IUPAC18-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-6-(9,9-dimethylfluoren-2-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1,3(8),4,6,10,14(22),15(20),16,18,23-decaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c5c(sc4c3)=CCC3C=5C=Cc4sc5cc(-c6ccc7c(c6)C(C)(C)C6C=CC=CC76)ccc5c43)cc21
InChIInChI=1S/C52H40S2/c1-51(2)41-11-7-5-9-33(41)35-17-13-29(25-43(35)51)31-15-19-39-47(27-31)53-45-23-21-38-37(49(39)45)22-24-46-50(38)40-20-16-32(28-48(40)54-46)30-14-18-36-34-10-6-8-12-42(34)52(3,4)44(36)26-30/h5-21,23-28,33,37,41H,22H2,1-4H3
InChIKeyYDSCJRZNKREUSU-UHFFFAOYSA-N
MW729.03 g/mol
LogP13.02
Rot. Bonds2

About 18-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-6-(9,9-dimethylfluoren-2-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1,3(8),4,6,10,14(22),15(20),16,18,23-decaene

18-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-6-(9,9-dimethylfluoren-2-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1,3(8),4,6,10,14(22),15(20),16,18,23-decaene (PubChem CID 70923638) has the molecular formula C52H40S2 and a molecular weight of 729.03 g/mol. Its IUPAC name is 18-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-6-(9,9-dimethylfluoren-2-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1,3(8),4,6,10,14(22),15(20),16,18,23-decaene.

Molecular Properties

Compound Name18-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-6-(9,9-dimethylfluoren-2-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1,3(8),4,6,10,14(22),15(20),16,18,23-decaene
PubChem CID70923638
Molecular FormulaC52H40S2
Molecular Weight729.03 g/mol
Exact Mass728.26
IUPAC Name18-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-6-(9,9-dimethylfluoren-2-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1,3(8),4,6,10,14(22),15(20),16,18,23-decaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c5c(sc4c3)=CCC3C=5C=Cc4sc5cc(-c6ccc7c(c6)C(C)(C)C6C=CC=CC76)ccc5c43)cc21
InChIInChI=1S/C52H40S2/c1-51(2)41-11-7-5-9-33(41)35-17-13-29(25-43(35)51)31-15-19-39-47(27-31)53-45-23-21-38-37(49(39)45)22-24-46-50(38)40-20-16-32(28-48(40)54-46)30-14-18-36-34-10-6-8-12-42(34)52(3,4)44(36)26-30/h5-21,23-28,33,37,41H,22H2,1-4H3
InChIKeyYDSCJRZNKREUSU-UHFFFAOYSA-N
XLogP13.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.03
LogP ≤ 513.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 18-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-6-(9,9-dimethylfluoren-2-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1,3(8),4,6,10,14(22),15(20),16,18,23-decaene with MolForge

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Related Compounds

5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-16-(9,9-dimethylfluoren-2-yl)-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene
CID 70923500
2-[7-(4b,8a-dihydrotriphenylen-2-yl)dibenzothiophen-3-yl]-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine
CID 155002467
2-N-[4-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)phenyl]-6-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine
CID 89152127
6-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-4-(9,9-dimethylfluoren-2-yl)-2-(4-pyridin-2-ylphenyl)benzo[h]quinoline
CID 121441172
3-(9,9-dimethylfluoren-2-yl)dibenzothiophene
CID 134387503
5-[9-[2-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)phenyl]-10-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)anthracen-2-yl]-10-methylphenazine
CID 89111390
5-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-18-N-(9,9-dimethylfluoren-2-yl)-5-N,18-N-dinaphthalen-2-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine
CID 122674931
3-[(E)-2-[4-[7'-[4-[(E)-2-[9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)carbazol-3-yl]ethenyl]phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-yl]phenyl]ethenyl]-9-(9,9-dimethylfluoren-2-yl)carbazole
CID 89093973
N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-2-amine
CID 142481358
3-bromo-7-(9,9-dimethylfluoren-2-yl)dibenzothiophene
CID 130250823
2-(9,9-dimethylfluoren-2-yl)-6-[7-[7-[6-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyridine
CID 58881225
4-[8-[(8aR)-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]-5-(9,9-dimethylfluoren-2-yl)-3-phenylquinoxalin-2-yl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenylaniline
CID 89177130

Frequently Asked Questions

What is the IUPAC name of 18-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-6-(9,9-dimethylfluoren-2-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1,3(8),4,6,10,14(22),15(20),16,18,23-decaene?
The IUPAC name of 18-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-6-(9,9-dimethylfluoren-2-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1,3(8),4,6,10,14(22),15(20),16,18,23-decaene (CID 70923638) is 18-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-6-(9,9-dimethylfluoren-2-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1,3(8),4,6,10,14(22),15(20),16,18,23-decaene.
What is the SMILES notation for 18-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-6-(9,9-dimethylfluoren-2-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1,3(8),4,6,10,14(22),15(20),16,18,23-decaene?
The canonical SMILES for 18-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-6-(9,9-dimethylfluoren-2-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1,3(8),4,6,10,14(22),15(20),16,18,23-decaene is CC1(C)c2ccccc2-c2ccc(-c3ccc4c5c(sc4c3)=CCC3C=5C=Cc4sc5cc(-c6ccc7c(c6)C(C)(C)C6C=CC=CC76)ccc5c43)cc21.
What is the InChIKey of 18-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-6-(9,9-dimethylfluoren-2-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1,3(8),4,6,10,14(22),15(20),16,18,23-decaene?
The InChIKey is YDSCJRZNKREUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H40S2/c1-51(2)41-11-7-5-9-33(41)35-17-13-29(25-43(35)51)31-15-19-39-47(27-31)53-45-23-21-38-37(49(39)45)22-24-46-50(38)40-20-16-32(28-48(40)54-46)30-14-18-36-34-10-6-8-12-42(34)52(3,4)44(36)26-30/h5-21,23-28,33,37,41H,22H2,1-4H3.
What are the key properties of 18-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-6-(9,9-dimethylfluoren-2-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1,3(8),4,6,10,14(22),15(20),16,18,23-decaene?
18-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-6-(9,9-dimethylfluoren-2-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1,3(8),4,6,10,14(22),15(20),16,18,23-decaene has a molecular weight of 729.03 g/mol, XLogP of 13.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 18-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-6-(9,9-dimethylfluoren-2-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1,3(8),4,6,10,14(22),15(20),16,18,23-decaene is sourced from PubChem (CID 70923638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).