11,11-dimethyl-2,8-di(propan-2-yl)benzo[b]fluorene;7,7-dimethyl-5,9-di(propan-2-yl)benzo[c]fluorene;12,12-dimethyl-7,17-di(propan-2-yl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene

C79H86 — CID 160928809

IUPAC11,11-dimethyl-2,8-di(propan-2-yl)benzo[b]fluorene;7,7-dimethyl-5,9-di(propan-2-yl)benzo[c]fluorene;12,12-dimethyl-7,17-di(propan-2-yl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene
SMILESCC(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)C)c3ccccc3c1-2.CC(C)c1ccc2c(c1)C(C)(C)c1cc3cc(C(C)C)ccc3cc1-2.CC(C)c1ccc2c3c(ccc2c1)-c1ccc2cc(C(C)C)ccc2c1C3(C)C
InChIInChI=1S/C29H30.2C25H28/c1-17(2)19-7-11-23-21(15-19)9-13-25-26-14-10-22-16-20(18(3)4)8-12-24(22)28(26)29(5,6)27(23)25;1-15(2)17-7-8-19-12-22-21-10-9-18(16(3)4)13-23(21)25(5,6)24(22)14-20(19)11-17;1-15(2)17-11-12-20-22(13-17)25(5,6)23-14-21(16(3)4)18-9-7-8-10-19(18)24(20)23/h7-18H,1-6H3;2*7-16H,1-6H3
InChIKeySSZHVOOUSFFBEC-UHFFFAOYSA-N
MW1035.56 g/mol
LogP23.33
Rot. Bonds6

About 11,11-dimethyl-2,8-di(propan-2-yl)benzo[b]fluorene;7,7-dimethyl-5,9-di(propan-2-yl)benzo[c]fluorene;12,12-dimethyl-7,17-di(propan-2-yl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene

11,11-dimethyl-2,8-di(propan-2-yl)benzo[b]fluorene;7,7-dimethyl-5,9-di(propan-2-yl)benzo[c]fluorene;12,12-dimethyl-7,17-di(propan-2-yl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene (PubChem CID 160928809) has the molecular formula C79H86 and a molecular weight of 1035.56 g/mol. Its IUPAC name is 11,11-dimethyl-2,8-di(propan-2-yl)benzo[b]fluorene;7,7-dimethyl-5,9-di(propan-2-yl)benzo[c]fluorene;12,12-dimethyl-7,17-di(propan-2-yl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene.

Molecular Properties

Compound Name11,11-dimethyl-2,8-di(propan-2-yl)benzo[b]fluorene;7,7-dimethyl-5,9-di(propan-2-yl)benzo[c]fluorene;12,12-dimethyl-7,17-di(propan-2-yl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene
PubChem CID160928809
Molecular FormulaC79H86
Molecular Weight1035.56 g/mol
Exact Mass1034.67
IUPAC Name11,11-dimethyl-2,8-di(propan-2-yl)benzo[b]fluorene;7,7-dimethyl-5,9-di(propan-2-yl)benzo[c]fluorene;12,12-dimethyl-7,17-di(propan-2-yl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene
SMILESCC(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)C)c3ccccc3c1-2.CC(C)c1ccc2c(c1)C(C)(C)c1cc3cc(C(C)C)ccc3cc1-2.CC(C)c1ccc2c3c(ccc2c1)-c1ccc2cc(C(C)C)ccc2c1C3(C)C
InChIInChI=1S/C29H30.2C25H28/c1-17(2)19-7-11-23-21(15-19)9-13-25-26-14-10-22-16-20(18(3)4)8-12-24(22)28(26)29(5,6)27(23)25;1-15(2)17-7-8-19-12-22-21-10-9-18(16(3)4)13-23(21)25(5,6)24(22)14-20(19)11-17;1-15(2)17-11-12-20-22(13-17)25(5,6)23-14-21(16(3)4)18-9-7-8-10-19(18)24(20)23/h7-18H,1-6H3;2*7-16H,1-6H3
InChIKeySSZHVOOUSFFBEC-UHFFFAOYSA-N
XLogP23.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001035.56
LogP ≤ 523.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 11,11-dimethyl-2,8-di(propan-2-yl)benzo[b]fluorene;7,7-dimethyl-5,9-di(propan-2-yl)benzo[c]fluorene;12,12-dimethyl-7,17-di(propan-2-yl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene with MolForge

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Related Compounds

N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-12,12-dimethyl-N-naphthalen-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine
CID 130290147
8-tert-butyl-7,7-dimethylbenzo[c]fluorene;9-tert-butyl-7,7-dimethylbenzo[c]fluorene;10-tert-butyl-7,7-dimethylbenzo[c]fluorene;11,11-dimethyl-1-propan-2-ylbenzo[b]fluorene;11,11-dimethyl-2-propan-2-ylbenzo[b]fluorene;11,11-dimethyl-3-propan-2-ylbenzo[b]fluorene;11,11-dimethyl-4-propan-2-ylbenzo[b]fluorene
CID 159909633
9-[10-(11,11-dimethylbenzo[a]fluoren-9-yl)-2-naphthalen-2-ylanthracen-9-yl]-11,11-dimethylbenzo[a]fluorene;2-[10-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-naphthalen-2-ylanthracen-9-yl]-11,11-dimethylbenzo[b]fluorene;9-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-naphthalen-2-ylanthracen-9-yl]-7,7-dimethylbenzo[c]fluorene;9-(9,10-dinaphthalen-2-ylanthracen-2-yl)-11,11-dimethylbenzo[a]fluorene
CID 158851609
N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-naphthalen-2-ylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine;N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine;N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine
CID 158086959
11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;9,9-dimethylfluorene;8,8-dimethylindeno[1,2-a]anthracene;13,13-dimethylindeno[2,1-a]anthracene;10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;ethane
CID 159108274
N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine
CID 130290148
N-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-12,12-dimethyl-N-phenylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine
CID 130289769
3,9-dibromo-11,11-dimethylbenzo[a]fluorene;5,9-dibromo-11,11-dimethylbenzo[a]fluorene;2,8-dibromo-11,11-dimethylbenzo[b]fluorene
CID 158333751
11,11-dimethyl-3-N,3-N,9-N,9-N-tetraphenylbenzo[a]fluorene-3,9-diamine;11,11-dimethyl-2-N,2-N,8-N,8-N-tetraphenylbenzo[b]fluorene-2,8-diamine
CID 160909742
12,12-dimethyl-9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 140710669
8-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-17,17-dimethyl-4-propan-2-ylhexacyclo[12.11.0.02,11.05,10.016,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,16(24),18,20,22-dodecaene
CID 123541723
12,12-dimethyl-7-naphthalen-1-yl-17-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene;12,12-dimethyl-8-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene;12,12-dimethyl-17-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene
CID 161088347

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-2,8-di(propan-2-yl)benzo[b]fluorene;7,7-dimethyl-5,9-di(propan-2-yl)benzo[c]fluorene;12,12-dimethyl-7,17-di(propan-2-yl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene?
The IUPAC name of 11,11-dimethyl-2,8-di(propan-2-yl)benzo[b]fluorene;7,7-dimethyl-5,9-di(propan-2-yl)benzo[c]fluorene;12,12-dimethyl-7,17-di(propan-2-yl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene (CID 160928809) is 11,11-dimethyl-2,8-di(propan-2-yl)benzo[b]fluorene;7,7-dimethyl-5,9-di(propan-2-yl)benzo[c]fluorene;12,12-dimethyl-7,17-di(propan-2-yl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene.
What is the SMILES notation for 11,11-dimethyl-2,8-di(propan-2-yl)benzo[b]fluorene;7,7-dimethyl-5,9-di(propan-2-yl)benzo[c]fluorene;12,12-dimethyl-7,17-di(propan-2-yl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene?
The canonical SMILES for 11,11-dimethyl-2,8-di(propan-2-yl)benzo[b]fluorene;7,7-dimethyl-5,9-di(propan-2-yl)benzo[c]fluorene;12,12-dimethyl-7,17-di(propan-2-yl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene is CC(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)C)c3ccccc3c1-2.CC(C)c1ccc2c(c1)C(C)(C)c1cc3cc(C(C)C)ccc3cc1-2.CC(C)c1ccc2c3c(ccc2c1)-c1ccc2cc(C(C)C)ccc2c1C3(C)C.
What is the InChIKey of 11,11-dimethyl-2,8-di(propan-2-yl)benzo[b]fluorene;7,7-dimethyl-5,9-di(propan-2-yl)benzo[c]fluorene;12,12-dimethyl-7,17-di(propan-2-yl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene?
The InChIKey is SSZHVOOUSFFBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30.2C25H28/c1-17(2)19-7-11-23-21(15-19)9-13-25-26-14-10-22-16-20(18(3)4)8-12-24(22)28(26)29(5,6)27(23)25;1-15(2)17-7-8-19-12-22-21-10-9-18(16(3)4)13-23(21)25(5,6)24(22)14-20(19)11-17;1-15(2)17-11-12-20-22(13-17)25(5,6)23-14-21(16(3)4)18-9-7-8-10-19(18)24(20)23/h7-18H,1-6H3;2*7-16H,1-6H3.
What are the key properties of 11,11-dimethyl-2,8-di(propan-2-yl)benzo[b]fluorene;7,7-dimethyl-5,9-di(propan-2-yl)benzo[c]fluorene;12,12-dimethyl-7,17-di(propan-2-yl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene?
11,11-dimethyl-2,8-di(propan-2-yl)benzo[b]fluorene;7,7-dimethyl-5,9-di(propan-2-yl)benzo[c]fluorene;12,12-dimethyl-7,17-di(propan-2-yl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene has a molecular weight of 1035.56 g/mol, XLogP of 23.33, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-2,8-di(propan-2-yl)benzo[b]fluorene;7,7-dimethyl-5,9-di(propan-2-yl)benzo[c]fluorene;12,12-dimethyl-7,17-di(propan-2-yl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene is sourced from PubChem (CID 160928809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).