8-(7,12-dicyclohexylbenzo[k]fluoranthen-3-yl)-22-naphthalen-1-ylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene

C68H50 — CID 163880962

IUPAC8-(7,12-dicyclohexylbenzo[k]fluoranthen-3-yl)-22-naphthalen-1-ylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene
SMILESc1ccc2c(-c3ccc4c5cc6c(cc5c5cccc3c54)c3cccc4c(-c5ccc7c8c(cccc58)-c5c-7c(C7CCCCC7)c7ccccc7c5C5CCCCC5)ccc6c43)cccc2c1
InChIInChI=1S/C68H50/c1-3-16-40(17-4-1)62-50-22-9-10-23-51(50)63(41-18-5-2-6-19-41)68-57-36-33-46(49-27-14-30-56(66(49)57)67(62)68)45-32-35-55-61-38-60-54-34-31-44(43-24-11-20-39-15-7-8-21-42(39)43)47-25-12-28-52(64(47)54)58(60)37-59(61)53-29-13-26-48(45)65(53)55/h7-15,20-38,40-41H,1-6,16-19H2
InChIKeyPTDRTEFLNRXEGH-UHFFFAOYSA-N
MW867.15 g/mol
LogP20.02
Rot. Bonds4

About 8-(7,12-dicyclohexylbenzo[k]fluoranthen-3-yl)-22-naphthalen-1-ylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene

8-(7,12-dicyclohexylbenzo[k]fluoranthen-3-yl)-22-naphthalen-1-ylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene (PubChem CID 163880962) has the molecular formula C68H50 and a molecular weight of 867.15 g/mol. Its IUPAC name is 8-(7,12-dicyclohexylbenzo[k]fluoranthen-3-yl)-22-naphthalen-1-ylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene.

Molecular Properties

Compound Name8-(7,12-dicyclohexylbenzo[k]fluoranthen-3-yl)-22-naphthalen-1-ylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene
PubChem CID163880962
Molecular FormulaC68H50
Molecular Weight867.15 g/mol
Exact Mass866.39
IUPAC Name8-(7,12-dicyclohexylbenzo[k]fluoranthen-3-yl)-22-naphthalen-1-ylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene
SMILESc1ccc2c(-c3ccc4c5cc6c(cc5c5cccc3c54)c3cccc4c(-c5ccc7c8c(cccc58)-c5c-7c(C7CCCCC7)c7ccccc7c5C5CCCCC5)ccc6c43)cccc2c1
InChIInChI=1S/C68H50/c1-3-16-40(17-4-1)62-50-22-9-10-23-51(50)63(41-18-5-2-6-19-41)68-57-36-33-46(49-27-14-30-56(66(49)57)67(62)68)45-32-35-55-61-38-60-54-34-31-44(43-24-11-20-39-15-7-8-21-42(39)43)47-25-12-28-52(64(47)54)58(60)37-59(61)53-29-13-26-48(45)65(53)55/h7-15,20-38,40-41H,1-6,16-19H2
InChIKeyPTDRTEFLNRXEGH-UHFFFAOYSA-N
XLogP20.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.15
LogP ≤ 520.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 8-(7,12-dicyclohexylbenzo[k]fluoranthen-3-yl)-22-naphthalen-1-ylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 8-(7,12-dicyclohexylbenzo[k]fluoranthen-3-yl)-22-naphthalen-1-ylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene?
The IUPAC name of 8-(7,12-dicyclohexylbenzo[k]fluoranthen-3-yl)-22-naphthalen-1-ylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene (CID 163880962) is 8-(7,12-dicyclohexylbenzo[k]fluoranthen-3-yl)-22-naphthalen-1-ylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene.
What is the SMILES notation for 8-(7,12-dicyclohexylbenzo[k]fluoranthen-3-yl)-22-naphthalen-1-ylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene?
The canonical SMILES for 8-(7,12-dicyclohexylbenzo[k]fluoranthen-3-yl)-22-naphthalen-1-ylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene is c1ccc2c(-c3ccc4c5cc6c(cc5c5cccc3c54)c3cccc4c(-c5ccc7c8c(cccc58)-c5c-7c(C7CCCCC7)c7ccccc7c5C5CCCCC5)ccc6c43)cccc2c1.
What is the InChIKey of 8-(7,12-dicyclohexylbenzo[k]fluoranthen-3-yl)-22-naphthalen-1-ylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene?
The InChIKey is PTDRTEFLNRXEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H50/c1-3-16-40(17-4-1)62-50-22-9-10-23-51(50)63(41-18-5-2-6-19-41)68-57-36-33-46(49-27-14-30-56(66(49)57)67(62)68)45-32-35-55-61-38-60-54-34-31-44(43-24-11-20-39-15-7-8-21-42(39)43)47-25-12-28-52(64(47)54)58(60)37-59(61)53-29-13-26-48(45)65(53)55/h7-15,20-38,40-41H,1-6,16-19H2.
What are the key properties of 8-(7,12-dicyclohexylbenzo[k]fluoranthen-3-yl)-22-naphthalen-1-ylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene?
8-(7,12-dicyclohexylbenzo[k]fluoranthen-3-yl)-22-naphthalen-1-ylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene has a molecular weight of 867.15 g/mol, XLogP of 20.02, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(7,12-dicyclohexylbenzo[k]fluoranthen-3-yl)-22-naphthalen-1-ylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene is sourced from PubChem (CID 163880962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).