11,12-dihydroindeno[2,1-a]fluorene;6,12-dihydroindeno[1,2-b]fluorene;10,12-dihydroindeno[2,1-b]fluorene;9H-fluorene;7,8,9,10,11,12-hexahydroindeno[1,2-a]fluorene;pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C113H84 — CID 158453722

IUPAC11,12-dihydroindeno[2,1-a]fluorene;6,12-dihydroindeno[1,2-b]fluorene;10,12-dihydroindeno[2,1-b]fluorene;9H-fluorene;7,8,9,10,11,12-hexahydroindeno[1,2-a]fluorene;pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESc1ccc2c(c1)Cc1c-2ccc2c1C1=C(CCCC1)C2.c1ccc2c(c1)Cc1c-2ccc2c1Cc1ccccc1-2.c1ccc2c(c1)Cc1cc3c(cc1-2)-c1ccccc1C3.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1ccccc1-3.c1ccc2c(c1)Cc1ccc3c(c1-2)-c1ccccc1C3.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C20H18.4C20H14.C13H10/c1-3-7-16-14(6-1)12-19-18(16)10-9-15-11-13-5-2-4-8-17(13)20(15)19;1-3-7-17-13(5-1)9-15-11-20-16(12-19(15)17)10-14-6-2-4-8-18(14)20;1-3-7-17-13(5-1)9-15-11-16-10-14-6-2-4-8-18(14)20(16)12-19(15)17;1-3-7-17-13(5-1)11-15-9-10-16-12-14-6-2-4-8-18(14)20(16)19(15)17;1-3-7-15-13(5-1)11-19-17(15)9-10-18-16-8-4-2-6-14(16)12-20(18)19;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1,3,6-7,9-10H,2,4-5,8,11-12H2;2*1-8,11-12H,9-10H2;2*1-10H,11-12H2;1-8H,9H2
InChIKeyHEHVEWCHCXTLBS-UHFFFAOYSA-N
MW1441.91 g/mol
LogP27.72
Rot. Bonds

About 11,12-dihydroindeno[2,1-a]fluorene;6,12-dihydroindeno[1,2-b]fluorene;10,12-dihydroindeno[2,1-b]fluorene;9H-fluorene;7,8,9,10,11,12-hexahydroindeno[1,2-a]fluorene;pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

11,12-dihydroindeno[2,1-a]fluorene;6,12-dihydroindeno[1,2-b]fluorene;10,12-dihydroindeno[2,1-b]fluorene;9H-fluorene;7,8,9,10,11,12-hexahydroindeno[1,2-a]fluorene;pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 158453722) has the molecular formula C113H84 and a molecular weight of 1441.91 g/mol. Its IUPAC name is 11,12-dihydroindeno[2,1-a]fluorene;6,12-dihydroindeno[1,2-b]fluorene;10,12-dihydroindeno[2,1-b]fluorene;9H-fluorene;7,8,9,10,11,12-hexahydroindeno[1,2-a]fluorene;pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

Compound Name11,12-dihydroindeno[2,1-a]fluorene;6,12-dihydroindeno[1,2-b]fluorene;10,12-dihydroindeno[2,1-b]fluorene;9H-fluorene;7,8,9,10,11,12-hexahydroindeno[1,2-a]fluorene;pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
PubChem CID158453722
Molecular FormulaC113H84
Molecular Weight1441.91 g/mol
Exact Mass1440.66
IUPAC Name11,12-dihydroindeno[2,1-a]fluorene;6,12-dihydroindeno[1,2-b]fluorene;10,12-dihydroindeno[2,1-b]fluorene;9H-fluorene;7,8,9,10,11,12-hexahydroindeno[1,2-a]fluorene;pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESc1ccc2c(c1)Cc1c-2ccc2c1C1=C(CCCC1)C2.c1ccc2c(c1)Cc1c-2ccc2c1Cc1ccccc1-2.c1ccc2c(c1)Cc1cc3c(cc1-2)-c1ccccc1C3.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1ccccc1-3.c1ccc2c(c1)Cc1ccc3c(c1-2)-c1ccccc1C3.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C20H18.4C20H14.C13H10/c1-3-7-16-14(6-1)12-19-18(16)10-9-15-11-13-5-2-4-8-17(13)20(15)19;1-3-7-17-13(5-1)9-15-11-20-16(12-19(15)17)10-14-6-2-4-8-18(14)20;1-3-7-17-13(5-1)9-15-11-16-10-14-6-2-4-8-18(14)20(16)12-19(15)17;1-3-7-17-13(5-1)11-15-9-10-16-12-14-6-2-4-8-18(14)20(16)19(15)17;1-3-7-15-13(5-1)11-19-17(15)9-10-18-16-8-4-2-6-14(16)12-20(18)19;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1,3,6-7,9-10H,2,4-5,8,11-12H2;2*1-8,11-12H,9-10H2;2*1-10H,11-12H2;1-8H,9H2
InChIKeyHEHVEWCHCXTLBS-UHFFFAOYSA-N
XLogP27.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms113
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001441.91
LogP ≤ 527.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 11,12-dihydroindeno[2,1-a]fluorene;6,12-dihydroindeno[1,2-b]fluorene;10,12-dihydroindeno[2,1-b]fluorene;9H-fluorene;7,8,9,10,11,12-hexahydroindeno[1,2-a]fluorene;pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene with MolForge

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Related Compounds

bis(7,12-dihydroindeno[1,2-a]fluorene);bis(11,12-dihydroindeno[2,1-a]fluorene);bis(10,12-dihydroindeno[2,1-b]fluorene);ethane
CID 160769436
carbanide;tetrakis(7,12-dihydroindeno[1,2-a]fluorene);bis(11,12-dihydroindeno[2,1-a]fluorene);10,12-dihydroindeno[2,1-b]fluorene;ethane;propane;(yttrium)
CID 157436850
bis(7,12-dihydroindeno[1,2-a]fluorene);11,12-dihydroindeno[2,1-a]fluorene;6,12-dihydroindeno[1,2-b]fluorene;10,12-dihydroindeno[2,1-b]fluorene;pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 158887137
tetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,9,12,14,16-hexaene
CID 90965894
6,7,8,9,10,11,12,13,14,15-decahydro-5H-cyclododeca[a]indene
CID 14952510
nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene
CID 59863436
1,2-dimethyl-9H-fluorene;2,3-dimethyl-9H-fluorene;3,4-dimethyl-9H-fluorene
CID 159443497
bis(1,2-dimethyl-9H-fluorene);bis(2,3-dimethyl-9H-fluorene);3,4-dimethyl-9H-fluorene
CID 163707739
10-methyl-7,12-dihydroindeno[1,2-a]fluorene
CID 161385302
27-azanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21,23,25,28,30,32,34-hexadecaene;27-azanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21,23,25,28,30,32,34-hexadecaene;27-azanonacyclo[18.15.0.03,18.04,16.07,15.09,14.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),9,11,13,18,21,23,25,28,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21,23,25,27,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21,23,25,27,30,32,34-hexadecaene;29-azanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21,23,25,27,30,32,34-hexadecaene;ethane;methane
CID 161380999
methanol;2,3,4,9-tetrahydro-1H-fluorene
CID 172707139
ethane;3-ethynyl-4-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene;3-ethynyl-4-prop-1-ynyl-11,12-dihydroindeno[2,1-a]fluorene;10-ethynyl-11-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene;3-ethynyl-4-prop-1-ynyl-6,12-dihydroindeno[1,2-b]fluorene;7-ethynyl-6-prop-1-ynyl-10,12-dihydroindeno[2,1-b]fluorene;5-ethynyl-4-prop-1-ynylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 158174599

Frequently Asked Questions

What is the IUPAC name of 11,12-dihydroindeno[2,1-a]fluorene;6,12-dihydroindeno[1,2-b]fluorene;10,12-dihydroindeno[2,1-b]fluorene;9H-fluorene;7,8,9,10,11,12-hexahydroindeno[1,2-a]fluorene;pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The IUPAC name of 11,12-dihydroindeno[2,1-a]fluorene;6,12-dihydroindeno[1,2-b]fluorene;10,12-dihydroindeno[2,1-b]fluorene;9H-fluorene;7,8,9,10,11,12-hexahydroindeno[1,2-a]fluorene;pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 158453722) is 11,12-dihydroindeno[2,1-a]fluorene;6,12-dihydroindeno[1,2-b]fluorene;10,12-dihydroindeno[2,1-b]fluorene;9H-fluorene;7,8,9,10,11,12-hexahydroindeno[1,2-a]fluorene;pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.
What is the SMILES notation for 11,12-dihydroindeno[2,1-a]fluorene;6,12-dihydroindeno[1,2-b]fluorene;10,12-dihydroindeno[2,1-b]fluorene;9H-fluorene;7,8,9,10,11,12-hexahydroindeno[1,2-a]fluorene;pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The canonical SMILES for 11,12-dihydroindeno[2,1-a]fluorene;6,12-dihydroindeno[1,2-b]fluorene;10,12-dihydroindeno[2,1-b]fluorene;9H-fluorene;7,8,9,10,11,12-hexahydroindeno[1,2-a]fluorene;pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is c1ccc2c(c1)Cc1c-2ccc2c1C1=C(CCCC1)C2.c1ccc2c(c1)Cc1c-2ccc2c1Cc1ccccc1-2.c1ccc2c(c1)Cc1cc3c(cc1-2)-c1ccccc1C3.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1ccccc1-3.c1ccc2c(c1)Cc1ccc3c(c1-2)-c1ccccc1C3.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 11,12-dihydroindeno[2,1-a]fluorene;6,12-dihydroindeno[1,2-b]fluorene;10,12-dihydroindeno[2,1-b]fluorene;9H-fluorene;7,8,9,10,11,12-hexahydroindeno[1,2-a]fluorene;pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The InChIKey is HEHVEWCHCXTLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18.4C20H14.C13H10/c1-3-7-16-14(6-1)12-19-18(16)10-9-15-11-13-5-2-4-8-17(13)20(15)19;1-3-7-17-13(5-1)9-15-11-20-16(12-19(15)17)10-14-6-2-4-8-18(14)20;1-3-7-17-13(5-1)9-15-11-16-10-14-6-2-4-8-18(14)20(16)12-19(15)17;1-3-7-17-13(5-1)11-15-9-10-16-12-14-6-2-4-8-18(14)20(16)19(15)17;1-3-7-15-13(5-1)11-19-17(15)9-10-18-16-8-4-2-6-14(16)12-20(18)19;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1,3,6-7,9-10H,2,4-5,8,11-12H2;2*1-8,11-12H,9-10H2;2*1-10H,11-12H2;1-8H,9H2.
What are the key properties of 11,12-dihydroindeno[2,1-a]fluorene;6,12-dihydroindeno[1,2-b]fluorene;10,12-dihydroindeno[2,1-b]fluorene;9H-fluorene;7,8,9,10,11,12-hexahydroindeno[1,2-a]fluorene;pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
11,12-dihydroindeno[2,1-a]fluorene;6,12-dihydroindeno[1,2-b]fluorene;10,12-dihydroindeno[2,1-b]fluorene;9H-fluorene;7,8,9,10,11,12-hexahydroindeno[1,2-a]fluorene;pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 1441.91 g/mol, XLogP of 27.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11,12-dihydroindeno[2,1-a]fluorene;6,12-dihydroindeno[1,2-b]fluorene;10,12-dihydroindeno[2,1-b]fluorene;9H-fluorene;7,8,9,10,11,12-hexahydroindeno[1,2-a]fluorene;pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 158453722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).