9,9-dimethylfluorene;3,17,24-tris(9,9-dimethylfluoren-2-yl)-6,10-dimethyloctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2(11),3,5,7,9,12(29),13,15(30),16,18,20,22,24,26-pentadecaene

C92H70 — CID 145474396

IUPAC9,9-dimethylfluorene;3,17,24-tris(9,9-dimethylfluoren-2-yl)-6,10-dimethyloctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2(11),3,5,7,9,12(29),13,15(30),16,18,20,22,24,26-pentadecaene
SMILESCC1(C)c2ccccc2-c2ccccc21.Cc1ccc2c(C)c3c(c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c2c1)-c1ccc2c4c(ccc-3c14)-c1c-2c(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccccc2c1-c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C77H56.C15H14/c1-41-25-29-46-42(2)66-55-33-34-57-71-58(36-35-56(70(55)71)72(66)69(59(46)37-41)45-28-32-52-49-19-13-16-24-62(49)77(7,8)65(52)40-45)74-68(44-27-31-51-48-18-12-15-23-61(48)76(5,6)64(51)39-44)54-21-10-9-20-53(54)67(73(57)74)43-26-30-50-47-17-11-14-22-60(47)75(3,4)63(50)38-43;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h9-40H,1-8H3;3-10H,1-2H3
InChIKeyGTMXMQVECJQJQV-UHFFFAOYSA-N
MW1175.57 g/mol
LogP24.97
Rot. Bonds3

About 9,9-dimethylfluorene;3,17,24-tris(9,9-dimethylfluoren-2-yl)-6,10-dimethyloctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2(11),3,5,7,9,12(29),13,15(30),16,18,20,22,24,26-pentadecaene

9,9-dimethylfluorene;3,17,24-tris(9,9-dimethylfluoren-2-yl)-6,10-dimethyloctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2(11),3,5,7,9,12(29),13,15(30),16,18,20,22,24,26-pentadecaene (PubChem CID 145474396) has the molecular formula C92H70 and a molecular weight of 1175.57 g/mol. Its IUPAC name is 9,9-dimethylfluorene;3,17,24-tris(9,9-dimethylfluoren-2-yl)-6,10-dimethyloctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2(11),3,5,7,9,12(29),13,15(30),16,18,20,22,24,26-pentadecaene.

Molecular Properties

Compound Name9,9-dimethylfluorene;3,17,24-tris(9,9-dimethylfluoren-2-yl)-6,10-dimethyloctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2(11),3,5,7,9,12(29),13,15(30),16,18,20,22,24,26-pentadecaene
PubChem CID145474396
Molecular FormulaC92H70
Molecular Weight1175.57 g/mol
Exact Mass1174.55
IUPAC Name9,9-dimethylfluorene;3,17,24-tris(9,9-dimethylfluoren-2-yl)-6,10-dimethyloctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2(11),3,5,7,9,12(29),13,15(30),16,18,20,22,24,26-pentadecaene
SMILESCC1(C)c2ccccc2-c2ccccc21.Cc1ccc2c(C)c3c(c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c2c1)-c1ccc2c4c(ccc-3c14)-c1c-2c(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccccc2c1-c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C77H56.C15H14/c1-41-25-29-46-42(2)66-55-33-34-57-71-58(36-35-56(70(55)71)72(66)69(59(46)37-41)45-28-32-52-49-19-13-16-24-62(49)77(7,8)65(52)40-45)74-68(44-27-31-51-48-18-12-15-23-61(48)76(5,6)64(51)39-44)54-21-10-9-20-53(54)67(73(57)74)43-26-30-50-47-17-11-14-22-60(47)75(3,4)63(50)38-43;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h9-40H,1-8H3;3-10H,1-2H3
InChIKeyGTMXMQVECJQJQV-UHFFFAOYSA-N
XLogP24.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001175.57
LogP ≤ 524.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9,9-dimethylfluorene;3,17,24-tris(9,9-dimethylfluoren-2-yl)-6,10-dimethyloctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2(11),3,5,7,9,12(29),13,15(30),16,18,20,22,24,26-pentadecaene with MolForge

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Related Compounds

9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-methylanthracen-9-yl]-2-methylanthracene
CID 58782810
9-(9,9-dimethylfluoren-2-yl)-10-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylanthracene
CID 59195744
3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9-methylcarbazole
CID 59194893
6-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]chrysene
CID 59194713
3,17-bis(9,9-dimethylfluoren-2-yl)-10,20-diphenylheptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(25),2,4,6,8,10,12,14,16,18,20,22(26),23-tridecaene
CID 140722815
4-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzofuran
CID 59195065
2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzothiophene
CID 59196182
9-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-10-(4-methylphenyl)anthracene
CID 142701707
6-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-2-methylquinoline
CID 59194985
2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]quinoline
CID 59195716
9-(9,9-dimethylfluoren-2-yl)-10-(2,4-dimethylphenyl)-2-naphthalen-2-ylanthracene
CID 59195935
12-(9,9-dimethylfluoren-2-yl)-7-naphthalen-1-ylbenzo[k]fluoranthene
CID 59404102

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethylfluorene;3,17,24-tris(9,9-dimethylfluoren-2-yl)-6,10-dimethyloctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2(11),3,5,7,9,12(29),13,15(30),16,18,20,22,24,26-pentadecaene?
The IUPAC name of 9,9-dimethylfluorene;3,17,24-tris(9,9-dimethylfluoren-2-yl)-6,10-dimethyloctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2(11),3,5,7,9,12(29),13,15(30),16,18,20,22,24,26-pentadecaene (CID 145474396) is 9,9-dimethylfluorene;3,17,24-tris(9,9-dimethylfluoren-2-yl)-6,10-dimethyloctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2(11),3,5,7,9,12(29),13,15(30),16,18,20,22,24,26-pentadecaene.
What is the SMILES notation for 9,9-dimethylfluorene;3,17,24-tris(9,9-dimethylfluoren-2-yl)-6,10-dimethyloctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2(11),3,5,7,9,12(29),13,15(30),16,18,20,22,24,26-pentadecaene?
The canonical SMILES for 9,9-dimethylfluorene;3,17,24-tris(9,9-dimethylfluoren-2-yl)-6,10-dimethyloctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2(11),3,5,7,9,12(29),13,15(30),16,18,20,22,24,26-pentadecaene is CC1(C)c2ccccc2-c2ccccc21.Cc1ccc2c(C)c3c(c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c2c1)-c1ccc2c4c(ccc-3c14)-c1c-2c(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccccc2c1-c1ccc2c(c1)C(C)(C)c1ccccc1-2.
What is the InChIKey of 9,9-dimethylfluorene;3,17,24-tris(9,9-dimethylfluoren-2-yl)-6,10-dimethyloctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2(11),3,5,7,9,12(29),13,15(30),16,18,20,22,24,26-pentadecaene?
The InChIKey is GTMXMQVECJQJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H56.C15H14/c1-41-25-29-46-42(2)66-55-33-34-57-71-58(36-35-56(70(55)71)72(66)69(59(46)37-41)45-28-32-52-49-19-13-16-24-62(49)77(7,8)65(52)40-45)74-68(44-27-31-51-48-18-12-15-23-61(48)76(5,6)64(51)39-44)54-21-10-9-20-53(54)67(73(57)74)43-26-30-50-47-17-11-14-22-60(47)75(3,4)63(50)38-43;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h9-40H,1-8H3;3-10H,1-2H3.
What are the key properties of 9,9-dimethylfluorene;3,17,24-tris(9,9-dimethylfluoren-2-yl)-6,10-dimethyloctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2(11),3,5,7,9,12(29),13,15(30),16,18,20,22,24,26-pentadecaene?
9,9-dimethylfluorene;3,17,24-tris(9,9-dimethylfluoren-2-yl)-6,10-dimethyloctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2(11),3,5,7,9,12(29),13,15(30),16,18,20,22,24,26-pentadecaene has a molecular weight of 1175.57 g/mol, XLogP of 24.97, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethylfluorene;3,17,24-tris(9,9-dimethylfluoren-2-yl)-6,10-dimethyloctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2(11),3,5,7,9,12(29),13,15(30),16,18,20,22,24,26-pentadecaene is sourced from PubChem (CID 145474396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).