8-(7,12-diethyl-9,10-diphenylbenzo[k]fluoranthen-3-yl)-3,15-diethyl-22-(7-ethyl-8,9-diphenyl-10-prop-1-en-2-ylfluoranthen-3-yl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene

C99H72 — CID 152909121

About 8-(7,12-diethyl-9,10-diphenylbenzo[k]fluoranthen-3-yl)-3,15-diethyl-22-(7-ethyl-8,9-diphenyl-10-prop-1-en-2-ylfluoranthen-3-yl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene

8-(7,12-diethyl-9,10-diphenylbenzo[k]fluoranthen-3-yl)-3,15-diethyl-22-(7-ethyl-8,9-diphenyl-10-prop-1-en-2-ylfluoranthen-3-yl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene (PubChem CID 152909121) has the molecular formula C99H72 and a molecular weight of 1261.66 g/mol. Its IUPAC name is 8-(7,12-diethyl-9,10-diphenylbenzo[k]fluoranthen-3-yl)-3,15-diethyl-22-(7-ethyl-8,9-diphenyl-10-prop-1-en-2-ylfluoranthen-3-yl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene.

Molecular Properties

• Compound Name: 8-(7,12-diethyl-9,10-diphenylbenzo[k]fluoranthen-3-yl)-3,15-diethyl-22-(7-ethyl-8,9-diphenyl-10-prop-1-en-2-ylfluoranthen-3-yl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene
• PubChem CID: 152909121
• Molecular Formula: C99H72
• Molecular Weight: 1261.66 g/mol
• Exact Mass: 1260.56
• IUPAC Name: 8-(7,12-diethyl-9,10-diphenylbenzo[k]fluoranthen-3-yl)-3,15-diethyl-22-(7-ethyl-8,9-diphenyl-10-prop-1-en-2-ylfluoranthen-3-yl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene
• SMILES: C=C(C)c1c(-c2ccccc2)c(-c2ccccc2)c(CC)c2c1-c1ccc(-c3ccc4c5c(CC)c6c7ccc(-c8ccc9c%10c(cccc8%10)-c8c-9c(CC)c9cc(-c%10ccccc%10)c(-c%10ccccc%10)cc9c8CC)c8cccc(c6c(CC)c5c5cccc3c54)c87)c3cccc-2c13
• InChI: InChI=1S/C99H72/c1-8-60-83-53-81(56-29-17-13-18-30-56)82(57-31-19-14-20-32-57)54-84(83)61(9-2)93-77-49-45-65(69-37-25-41-73(88(69)77)92(60)93)66-46-50-78-89-70(66)38-26-42-74(89)94-63(11-4)95-75-43-27-39-71-67(47-51-79(90(71)75)97(95)64(12-5)96(78)94)68-48-52-80-91-72(68)40-28-44-76(91)98-62(10-3)86(58-33-21-15-22-34-58)87(59-35-23-16-24-36-59)85(55(6)7)99(80)98/h13-54H,6,8-12H2,1-5,7H3
• InChIKey: UGVQHHSGRQPHBF-UHFFFAOYSA-N
• XLogP: 28.08
• TPSA: 0.00 Ų
• Rotatable Bonds: 12
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1261.66
LogP ≤ 5	28.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 8-(7,12-diethyl-9,10-diphenylbenzo[k]fluoranthen-3-yl)-3,15-diethyl-22-(7-ethyl-8,9-diphenyl-10-prop-1-en-2-ylfluoranthen-3-yl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene?

The IUPAC name of 8-(7,12-diethyl-9,10-diphenylbenzo[k]fluoranthen-3-yl)-3,15-diethyl-22-(7-ethyl-8,9-diphenyl-10-prop-1-en-2-ylfluoranthen-3-yl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene (CID 152909121) is 8-(7,12-diethyl-9,10-diphenylbenzo[k]fluoranthen-3-yl)-3,15-diethyl-22-(7-ethyl-8,9-diphenyl-10-prop-1-en-2-ylfluoranthen-3-yl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene.

What is the SMILES notation for 8-(7,12-diethyl-9,10-diphenylbenzo[k]fluoranthen-3-yl)-3,15-diethyl-22-(7-ethyl-8,9-diphenyl-10-prop-1-en-2-ylfluoranthen-3-yl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene?

The canonical SMILES for 8-(7,12-diethyl-9,10-diphenylbenzo[k]fluoranthen-3-yl)-3,15-diethyl-22-(7-ethyl-8,9-diphenyl-10-prop-1-en-2-ylfluoranthen-3-yl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene is C=C(C)c1c(-c2ccccc2)c(-c2ccccc2)c(CC)c2c1-c1ccc(-c3ccc4c5c(CC)c6c7ccc(-c8ccc9c%10c(cccc8%10)-c8c-9c(CC)c9cc(-c%10ccccc%10)c(-c%10ccccc%10)cc9c8CC)c8cccc(c6c(CC)c5c5cccc3c54)c87)c3cccc-2c13.

What is the InChIKey of 8-(7,12-diethyl-9,10-diphenylbenzo[k]fluoranthen-3-yl)-3,15-diethyl-22-(7-ethyl-8,9-diphenyl-10-prop-1-en-2-ylfluoranthen-3-yl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene?

The InChIKey is UGVQHHSGRQPHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H72/c1-8-60-83-53-81(56-29-17-13-18-30-56)82(57-31-19-14-20-32-57)54-84(83)61(9-2)93-77-49-45-65(69-37-25-41-73(88(69)77)92(60)93)66-46-50-78-89-70(66)38-26-42-74(89)94-63(11-4)95-75-43-27-39-71-67(47-51-79(90(71)75)97(95)64(12-5)96(78)94)68-48-52-80-91-72(68)40-28-44-76(91)98-62(10-3)86(58-33-21-15-22-34-58)87(59-35-23-16-24-36-59)85(55(6)7)99(80)98/h13-54H,6,8-12H2,1-5,7H3.

What are the key properties of 8-(7,12-diethyl-9,10-diphenylbenzo[k]fluoranthen-3-yl)-3,15-diethyl-22-(7-ethyl-8,9-diphenyl-10-prop-1-en-2-ylfluoranthen-3-yl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene?

8-(7,12-diethyl-9,10-diphenylbenzo[k]fluoranthen-3-yl)-3,15-diethyl-22-(7-ethyl-8,9-diphenyl-10-prop-1-en-2-ylfluoranthen-3-yl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene has a molecular weight of 1261.66 g/mol, XLogP of 28.08, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(7,12-diethyl-9,10-diphenylbenzo[k]fluoranthen-3-yl)-3,15-diethyl-22-(7-ethyl-8,9-diphenyl-10-prop-1-en-2-ylfluoranthen-3-yl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene is sourced from PubChem (CID 152909121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).