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

C142H98 — CID 158887137

IUPACbis(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
SMILESc1ccc2c(c1)Cc1c-2ccc2c1-c1ccccc1C2.c1ccc2c(c1)Cc1c-2ccc2c1-c1ccccc1C2.c1ccc2c(c1)Cc1c-2ccc2c1Cc1ccccc1-2.c1ccc2c(c1)Cc1cc3c(cc1-2)-c1ccccc1C3.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1ccccc1-3.c1ccc2c3c(ccc2c1)Cc1ccc2ccccc2c1-3.c1ccc2cc3c(cc2c1)Cc1ccc2ccccc2c1-3
InChIInChI=1S/2C21H14.5C20H14/c1-3-7-18-14(5-1)9-11-16-13-17-12-10-15-6-2-4-8-19(15)21(17)20(16)18;1-2-7-16-13-20-18(11-15(16)6-1)12-17-10-9-14-5-3-4-8-19(14)21(17)20;2*1-3-7-16-14(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;1-3-7-15-13(5-1)11-19-17(15)9-10-18-16-8-4-2-6-14(16)12-20(18)19/h1-12H,13H2;1-11,13H,12H2;2*1-10H,11-12H2;2*1-8,11-12H,9-10H2;1-10H,11-12H2
InChIKeyJDTRYSANKKUORV-UHFFFAOYSA-N
MW1804.35 g/mol
LogP35.27
Rot. Bonds

About 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

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 (PubChem CID 158887137) has the molecular formula C142H98 and a molecular weight of 1804.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebis(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
PubChem CID158887137
Molecular FormulaC142H98
Molecular Weight1804.35 g/mol
Exact Mass1802.77
IUPAC Namebis(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
SMILESc1ccc2c(c1)Cc1c-2ccc2c1-c1ccccc1C2.c1ccc2c(c1)Cc1c-2ccc2c1-c1ccccc1C2.c1ccc2c(c1)Cc1c-2ccc2c1Cc1ccccc1-2.c1ccc2c(c1)Cc1cc3c(cc1-2)-c1ccccc1C3.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1ccccc1-3.c1ccc2c3c(ccc2c1)Cc1ccc2ccccc2c1-3.c1ccc2cc3c(cc2c1)Cc1ccc2ccccc2c1-3
InChIInChI=1S/2C21H14.5C20H14/c1-3-7-18-14(5-1)9-11-16-13-17-12-10-15-6-2-4-8-19(15)21(17)20(16)18;1-2-7-16-13-20-18(11-15(16)6-1)12-17-10-9-14-5-3-4-8-19(14)21(17)20;2*1-3-7-16-14(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;1-3-7-15-13(5-1)11-19-17(15)9-10-18-16-8-4-2-6-14(16)12-20(18)19/h1-12H,13H2;1-11,13H,12H2;2*1-10H,11-12H2;2*1-8,11-12H,9-10H2;1-10H,11-12H2
InChIKeyJDTRYSANKKUORV-UHFFFAOYSA-N
XLogP35.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms142
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001804.35
LogP ≤ 535.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)Cc1c-2ccc2c1-c1ccccc1C2.c1ccc2c(c1)Cc1c-2ccc2c1-c1ccccc1C2.c1ccc2c(c1)Cc1c-2ccc2c1Cc1ccccc1-2.c1ccc2c(c1)Cc1cc3c(cc1-2)-c1ccccc1C3.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1ccccc1-3.c1ccc2c3c(ccc2c1)Cc1ccc2ccccc2c1-3.c1ccc2cc3c(cc2c1)Cc1ccc2ccccc2c1-3.
What is the InChIKey of 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?
The InChIKey is JDTRYSANKKUORV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H14.5C20H14/c1-3-7-18-14(5-1)9-11-16-13-17-12-10-15-6-2-4-8-19(15)21(17)20(16)18;1-2-7-16-13-20-18(11-15(16)6-1)12-17-10-9-14-5-3-4-8-19(14)21(17)20;2*1-3-7-16-14(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;1-3-7-15-13(5-1)11-19-17(15)9-10-18-16-8-4-2-6-14(16)12-20(18)19/h1-12H,13H2;1-11,13H,12H2;2*1-10H,11-12H2;2*1-8,11-12H,9-10H2;1-10H,11-12H2.
What are the key properties of 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?
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 has a molecular weight of 1804.35 g/mol, XLogP of 35.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158887137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).