5-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-yl-8-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexen-1-yl)-1,2,4b,8a-tetrahydrofluoren-2-yl]-2-N-[9-(3,6-dimethylcyclohex-3-en-1-yl)-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-8-N-(4-fluorocyclohexa-1,3-dien-1-yl)-2-N-(4-fluorocyclohex-3-en-1-yl)-4a,6,7,9b-tetrahydrobenzo[b][1]benzosilole-2,8-diamine

C94H104F2N2Si — CID 174318874

IUPAC5-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-yl-8-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexen-1-yl)-1,2,4b,8a-tetrahydrofluoren-2-yl]-2-N-[9-(3,6-dimethylcyclohex-3-en-1-yl)-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-8-N-(4-fluorocyclohexa-1,3-dien-1-yl)-2-N-(4-fluorocyclohex-3-en-1-yl)-4a,6,7,9b-tetrahydrobenzo[b][1]benzosilole-2,8-diamine
SMILESC=CC1=CCC(C2(C3CC(C)=CCC3C)C3C=CC=CC3C3C=CC(N(C4=CC5C6=C(CCC(N(C7=CC=C(F)CC7)C7C=CC8=C(C7)C(C7=CCC(C=C)CC7)(C7CC(C)=CC=C7C)C7C=CC=CC87)=C6)[Si](C6=CCCC=C6)(C6C=CC=CC6)C5C=C4)C4CC=C(F)CC4)=CC32)C=C1
InChIInChI=1S/C94H104F2N2Si/c1-7-65-31-35-67(36-32-65)93(87-55-61(3)27-29-63(87)5)85-25-17-15-23-79(85)81-51-47-75(59-89(81)93)97(71-43-39-69(95)40-44-71)73-49-53-91-83(57-73)84-58-74(50-54-92(84)99(91,77-19-11-9-12-20-77)78-21-13-10-14-22-78)98(72-45-41-70(96)42-46-72)76-48-52-82-80-24-16-18-26-86(80)94(90(82)60-76,68-37-33-66(8-2)34-38-68)88-56-62(4)28-30-64(88)6/h7-9,11-13,15-19,21-29,33-35,37,39,41,43,47-48,50-52,54,57-58,60,64-65,68,72,75,77,79-80,82,84-88,90,92H,1-2,10,14,20,30-32,36,38,40,42,44-46,49,53,55-56,59H2,3-6H3
InChIKeyJFFPWWPTCSWYLK-UHFFFAOYSA-N
MW1327.96 g/mol
LogP24.18
Rot. Bonds14

About 5-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-yl-8-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexen-1-yl)-1,2,4b,8a-tetrahydrofluoren-2-yl]-2-N-[9-(3,6-dimethylcyclohex-3-en-1-yl)-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-8-N-(4-fluorocyclohexa-1,3-dien-1-yl)-2-N-(4-fluorocyclohex-3-en-1-yl)-4a,6,7,9b-tetrahydrobenzo[b][1]benzosilole-2,8-diamine

5-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-yl-8-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexen-1-yl)-1,2,4b,8a-tetrahydrofluoren-2-yl]-2-N-[9-(3,6-dimethylcyclohex-3-en-1-yl)-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-8-N-(4-fluorocyclohexa-1,3-dien-1-yl)-2-N-(4-fluorocyclohex-3-en-1-yl)-4a,6,7,9b-tetrahydrobenzo[b][1]benzosilole-2,8-diamine (PubChem CID 174318874) has the molecular formula C94H104F2N2Si and a molecular weight of 1327.96 g/mol. Its IUPAC name is 5-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-yl-8-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexen-1-yl)-1,2,4b,8a-tetrahydrofluoren-2-yl]-2-N-[9-(3,6-dimethylcyclohex-3-en-1-yl)-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-8-N-(4-fluorocyclohexa-1,3-dien-1-yl)-2-N-(4-fluorocyclohex-3-en-1-yl)-4a,6,7,9b-tetrahydrobenzo[b][1]benzosilole-2,8-diamine.

Molecular Properties

Compound Name5-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-yl-8-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexen-1-yl)-1,2,4b,8a-tetrahydrofluoren-2-yl]-2-N-[9-(3,6-dimethylcyclohex-3-en-1-yl)-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-8-N-(4-fluorocyclohexa-1,3-dien-1-yl)-2-N-(4-fluorocyclohex-3-en-1-yl)-4a,6,7,9b-tetrahydrobenzo[b][1]benzosilole-2,8-diamine
PubChem CID174318874
Molecular FormulaC94H104F2N2Si
Molecular Weight1327.96 g/mol
Exact Mass1326.79
IUPAC Name5-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-yl-8-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexen-1-yl)-1,2,4b,8a-tetrahydrofluoren-2-yl]-2-N-[9-(3,6-dimethylcyclohex-3-en-1-yl)-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-8-N-(4-fluorocyclohexa-1,3-dien-1-yl)-2-N-(4-fluorocyclohex-3-en-1-yl)-4a,6,7,9b-tetrahydrobenzo[b][1]benzosilole-2,8-diamine
SMILESC=CC1=CCC(C2(C3CC(C)=CCC3C)C3C=CC=CC3C3C=CC(N(C4=CC5C6=C(CCC(N(C7=CC=C(F)CC7)C7C=CC8=C(C7)C(C7=CCC(C=C)CC7)(C7CC(C)=CC=C7C)C7C=CC=CC87)=C6)[Si](C6=CCCC=C6)(C6C=CC=CC6)C5C=C4)C4CC=C(F)CC4)=CC32)C=C1
InChIInChI=1S/C94H104F2N2Si/c1-7-65-31-35-67(36-32-65)93(87-55-61(3)27-29-63(87)5)85-25-17-15-23-79(85)81-51-47-75(59-89(81)93)97(71-43-39-69(95)40-44-71)73-49-53-91-83(57-73)84-58-74(50-54-92(84)99(91,77-19-11-9-12-20-77)78-21-13-10-14-22-78)98(72-45-41-70(96)42-46-72)76-48-52-82-80-24-16-18-26-86(80)94(90(82)60-76,68-37-33-66(8-2)34-38-68)88-56-62(4)28-30-64(88)6/h7-9,11-13,15-19,21-29,33-35,37,39,41,43,47-48,50-52,54,57-58,60,64-65,68,72,75,77,79-80,82,84-88,90,92H,1-2,10,14,20,30-32,36,38,40,42,44-46,49,53,55-56,59H2,3-6H3
InChIKeyJFFPWWPTCSWYLK-UHFFFAOYSA-N
XLogP24.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001327.96
LogP ≤ 524.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-yl-8-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexen-1-yl)-1,2,4b,8a-tetrahydrofluoren-2-yl]-2-N-[9-(3,6-dimethylcyclohex-3-en-1-yl)-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-8-N-(4-fluorocyclohexa-1,3-dien-1-yl)-2-N-(4-fluorocyclohex-3-en-1-yl)-4a,6,7,9b-tetrahydrobenzo[b][1]benzosilole-2,8-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-yl-8-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexen-1-yl)-1,2,4b,8a-tetrahydrofluoren-2-yl]-2-N-[9-(3,6-dimethylcyclohex-3-en-1-yl)-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-8-N-(4-fluorocyclohexa-1,3-dien-1-yl)-2-N-(4-fluorocyclohex-3-en-1-yl)-4a,6,7,9b-tetrahydrobenzo[b][1]benzosilole-2,8-diamine?
The IUPAC name of 5-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-yl-8-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexen-1-yl)-1,2,4b,8a-tetrahydrofluoren-2-yl]-2-N-[9-(3,6-dimethylcyclohex-3-en-1-yl)-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-8-N-(4-fluorocyclohexa-1,3-dien-1-yl)-2-N-(4-fluorocyclohex-3-en-1-yl)-4a,6,7,9b-tetrahydrobenzo[b][1]benzosilole-2,8-diamine (CID 174318874) is 5-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-yl-8-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexen-1-yl)-1,2,4b,8a-tetrahydrofluoren-2-yl]-2-N-[9-(3,6-dimethylcyclohex-3-en-1-yl)-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-8-N-(4-fluorocyclohexa-1,3-dien-1-yl)-2-N-(4-fluorocyclohex-3-en-1-yl)-4a,6,7,9b-tetrahydrobenzo[b][1]benzosilole-2,8-diamine.
What is the SMILES notation for 5-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-yl-8-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexen-1-yl)-1,2,4b,8a-tetrahydrofluoren-2-yl]-2-N-[9-(3,6-dimethylcyclohex-3-en-1-yl)-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-8-N-(4-fluorocyclohexa-1,3-dien-1-yl)-2-N-(4-fluorocyclohex-3-en-1-yl)-4a,6,7,9b-tetrahydrobenzo[b][1]benzosilole-2,8-diamine?
The canonical SMILES for 5-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-yl-8-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexen-1-yl)-1,2,4b,8a-tetrahydrofluoren-2-yl]-2-N-[9-(3,6-dimethylcyclohex-3-en-1-yl)-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-8-N-(4-fluorocyclohexa-1,3-dien-1-yl)-2-N-(4-fluorocyclohex-3-en-1-yl)-4a,6,7,9b-tetrahydrobenzo[b][1]benzosilole-2,8-diamine is C=CC1=CCC(C2(C3CC(C)=CCC3C)C3C=CC=CC3C3C=CC(N(C4=CC5C6=C(CCC(N(C7=CC=C(F)CC7)C7C=CC8=C(C7)C(C7=CCC(C=C)CC7)(C7CC(C)=CC=C7C)C7C=CC=CC87)=C6)[Si](C6=CCCC=C6)(C6C=CC=CC6)C5C=C4)C4CC=C(F)CC4)=CC32)C=C1.
What is the InChIKey of 5-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-yl-8-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexen-1-yl)-1,2,4b,8a-tetrahydrofluoren-2-yl]-2-N-[9-(3,6-dimethylcyclohex-3-en-1-yl)-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-8-N-(4-fluorocyclohexa-1,3-dien-1-yl)-2-N-(4-fluorocyclohex-3-en-1-yl)-4a,6,7,9b-tetrahydrobenzo[b][1]benzosilole-2,8-diamine?
The InChIKey is JFFPWWPTCSWYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H104F2N2Si/c1-7-65-31-35-67(36-32-65)93(87-55-61(3)27-29-63(87)5)85-25-17-15-23-79(85)81-51-47-75(59-89(81)93)97(71-43-39-69(95)40-44-71)73-49-53-91-83(57-73)84-58-74(50-54-92(84)99(91,77-19-11-9-12-20-77)78-21-13-10-14-22-78)98(72-45-41-70(96)42-46-72)76-48-52-82-80-24-16-18-26-86(80)94(90(82)60-76,68-37-33-66(8-2)34-38-68)88-56-62(4)28-30-64(88)6/h7-9,11-13,15-19,21-29,33-35,37,39,41,43,47-48,50-52,54,57-58,60,64-65,68,72,75,77,79-80,82,84-88,90,92H,1-2,10,14,20,30-32,36,38,40,42,44-46,49,53,55-56,59H2,3-6H3.
What are the key properties of 5-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-yl-8-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexen-1-yl)-1,2,4b,8a-tetrahydrofluoren-2-yl]-2-N-[9-(3,6-dimethylcyclohex-3-en-1-yl)-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-8-N-(4-fluorocyclohexa-1,3-dien-1-yl)-2-N-(4-fluorocyclohex-3-en-1-yl)-4a,6,7,9b-tetrahydrobenzo[b][1]benzosilole-2,8-diamine?
5-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-yl-8-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexen-1-yl)-1,2,4b,8a-tetrahydrofluoren-2-yl]-2-N-[9-(3,6-dimethylcyclohex-3-en-1-yl)-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-8-N-(4-fluorocyclohexa-1,3-dien-1-yl)-2-N-(4-fluorocyclohex-3-en-1-yl)-4a,6,7,9b-tetrahydrobenzo[b][1]benzosilole-2,8-diamine has a molecular weight of 1327.96 g/mol, XLogP of 24.18, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-yl-8-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexen-1-yl)-1,2,4b,8a-tetrahydrofluoren-2-yl]-2-N-[9-(3,6-dimethylcyclohex-3-en-1-yl)-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-8-N-(4-fluorocyclohexa-1,3-dien-1-yl)-2-N-(4-fluorocyclohex-3-en-1-yl)-4a,6,7,9b-tetrahydrobenzo[b][1]benzosilole-2,8-diamine is sourced from PubChem (CID 174318874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).