8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-bis(trifluoromethyl)indeno[1,2-b]pyridine;8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-diethylindeno[1,2-b]pyridine;bis(8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-dimethylindeno[1,2-b]pyridine)

C186H122F6N4 — CID 157223414

IUPAC8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-bis(trifluoromethyl)indeno[1,2-b]pyridine;8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-diethylindeno[1,2-b]pyridine;bis(8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-dimethylindeno[1,2-b]pyridine)
SMILESCC1(C)c2ccc(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccccc4)c4ccccc4c3-c3ccccc3)cc2-c2ncccc21.CC1(C)c2ccc(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccccc4)c4ccccc4c3-c3ccccc3)cc2-c2ncccc21.CCC1(CC)c2ccc(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccccc4)c4ccccc4c3-c3ccccc3)cc2-c2ncccc21.FC(F)(F)C1(C(F)(F)F)c2ccc(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccccc4)c4ccccc4c3-c3ccccc3)cc2-c2ncccc21
InChIInChI=1S/C48H35N.C46H25F6N.2C46H31N/c1-3-48(4-2)40-27-24-32(29-39(40)47-41(48)23-14-28-49-47)33-25-26-38-44-34(33)21-13-22-37(44)45-42(30-15-7-5-8-16-30)35-19-11-12-20-36(35)43(46(38)45)31-17-9-6-10-18-31;47-45(48,49)44(46(50,51)52)36-23-20-28(25-35(36)43-37(44)19-10-24-53-43)29-21-22-34-40-30(29)17-9-18-33(40)41-38(26-11-3-1-4-12-26)31-15-7-8-16-32(31)39(42(34)41)27-13-5-2-6-14-27;2*1-46(2)38-25-22-30(27-37(38)45-39(46)21-12-26-47-45)31-23-24-36-42-32(31)19-11-20-35(42)43-40(28-13-5-3-6-14-28)33-17-9-10-18-34(33)41(44(36)43)29-15-7-4-8-16-29/h5-29H,3-4H2,1-2H3;1-25H;2*3-27H,1-2H3
InChIKeyATGKPJHJFSAMSY-UHFFFAOYSA-N
MW2527.04 g/mol
LogP51.24
Rot. Bonds14

About 8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-bis(trifluoromethyl)indeno[1,2-b]pyridine;8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-diethylindeno[1,2-b]pyridine;bis(8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-dimethylindeno[1,2-b]pyridine)

8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-bis(trifluoromethyl)indeno[1,2-b]pyridine;8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-diethylindeno[1,2-b]pyridine;bis(8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-dimethylindeno[1,2-b]pyridine) (PubChem CID 157223414) has the molecular formula C186H122F6N4 and a molecular weight of 2527.04 g/mol. Its IUPAC name is 8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-bis(trifluoromethyl)indeno[1,2-b]pyridine;8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-diethylindeno[1,2-b]pyridine;bis(8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-dimethylindeno[1,2-b]pyridine).

Molecular Properties

Compound Name8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-bis(trifluoromethyl)indeno[1,2-b]pyridine;8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-diethylindeno[1,2-b]pyridine;bis(8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-dimethylindeno[1,2-b]pyridine)
PubChem CID157223414
Molecular FormulaC186H122F6N4
Molecular Weight2527.04 g/mol
Exact Mass2524.96
IUPAC Name8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-bis(trifluoromethyl)indeno[1,2-b]pyridine;8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-diethylindeno[1,2-b]pyridine;bis(8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-dimethylindeno[1,2-b]pyridine)
SMILESCC1(C)c2ccc(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccccc4)c4ccccc4c3-c3ccccc3)cc2-c2ncccc21.CC1(C)c2ccc(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccccc4)c4ccccc4c3-c3ccccc3)cc2-c2ncccc21.CCC1(CC)c2ccc(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccccc4)c4ccccc4c3-c3ccccc3)cc2-c2ncccc21.FC(F)(F)C1(C(F)(F)F)c2ccc(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccccc4)c4ccccc4c3-c3ccccc3)cc2-c2ncccc21
InChIInChI=1S/C48H35N.C46H25F6N.2C46H31N/c1-3-48(4-2)40-27-24-32(29-39(40)47-41(48)23-14-28-49-47)33-25-26-38-44-34(33)21-13-22-37(44)45-42(30-15-7-5-8-16-30)35-19-11-12-20-36(35)43(46(38)45)31-17-9-6-10-18-31;47-45(48,49)44(46(50,51)52)36-23-20-28(25-35(36)43-37(44)19-10-24-53-43)29-21-22-34-40-30(29)17-9-18-33(40)41-38(26-11-3-1-4-12-26)31-15-7-8-16-32(31)39(42(34)41)27-13-5-2-6-14-27;2*1-46(2)38-25-22-30(27-37(38)45-39(46)21-12-26-47-45)31-23-24-36-42-32(31)19-11-20-35(42)43-40(28-13-5-3-6-14-28)33-17-9-10-18-34(33)41(44(36)43)29-15-7-4-8-16-29/h5-29H,3-4H2,1-2H3;1-25H;2*3-27H,1-2H3
InChIKeyATGKPJHJFSAMSY-UHFFFAOYSA-N
XLogP51.24
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms196
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002527.04
LogP ≤ 551.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-bis(trifluoromethyl)indeno[1,2-b]pyridine;8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-diethylindeno[1,2-b]pyridine;bis(8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-dimethylindeno[1,2-b]pyridine) with MolForge

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Related Compounds

7-Ethyl-5,5-bis[(2-fluoro-4-pyridinyl)methyl]indeno[1,2-b]pyridine
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CID 57953031
4-(7,12-Diphenylbenzo[k]fluoranthen-3-yl)-5,5-bis(trifluoromethyl)indeno[1,2-b]pyridine
CID 57953041
2-[3-[3-(3-Pyridin-2-ylphenyl)-8-(2,4,6-trifluorophenyl)-15-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl]phenyl]pyridine
CID 58068248
2-(2',7'-diphenylspiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-yl)pyridine;iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine
CID 58793047
2-(2',7'-dinaphthalen-1-ylspiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-yl)pyridine;iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine
CID 58793155
2-(3-Tert-butyl-2-pyridinyl)-6-[4-[6-(3-tert-butyl-2-pyridinyl)-2-pyridinyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]pyridine
CID 59609410
8-[4-(9,9-Dimethylfluoren-2-yl)-2-(trifluoromethyl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine
CID 59747133
8-[4-(9,9-Dimethylfluoren-2-yl)-2-(fluoromethyl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine
CID 66596310
2-(11-methyl-12-phenyl-12-pyridin-2-ylindeno[2,1-a]fluoren-11-yl)-N,N-bis(trifluoromethyl)ethanamine
CID 88552409
2-[3-[3-(3-Pyridin-2-ylphenyl)-28-(2,4,6-trifluorophenyl)-19-nonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(33),2,4(18),5,7,9(34),10,12,14,16,19,21,23,25,27,29,31-heptadecaenyl]phenyl]pyridine
CID 88888720
2-(3-Tert-butyl-2-pyridinyl)-6-[4-[6-(3-tert-butyl-2-pyridinyl)-2-pyridinyl]-2,5-bis(2-methylphenyl)phenyl]pyridine;2-(3-tert-butyl-2-pyridinyl)-6-[4-[6-(3-tert-butyl-2-pyridinyl)-2-pyridinyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]pyridine;2-(3-ethyl-2-pyridinyl)-6-[4-[6-(3-ethyl-2-pyridinyl)-2-pyridinyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]pyridine
CID 91052081

Frequently Asked Questions

What is the IUPAC name of 8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-bis(trifluoromethyl)indeno[1,2-b]pyridine;8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-diethylindeno[1,2-b]pyridine;bis(8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-dimethylindeno[1,2-b]pyridine)?
The IUPAC name of 8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-bis(trifluoromethyl)indeno[1,2-b]pyridine;8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-diethylindeno[1,2-b]pyridine;bis(8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-dimethylindeno[1,2-b]pyridine) (CID 157223414) is 8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-bis(trifluoromethyl)indeno[1,2-b]pyridine;8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-diethylindeno[1,2-b]pyridine;bis(8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-dimethylindeno[1,2-b]pyridine).
What is the SMILES notation for 8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-bis(trifluoromethyl)indeno[1,2-b]pyridine;8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-diethylindeno[1,2-b]pyridine;bis(8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-dimethylindeno[1,2-b]pyridine)?
The canonical SMILES for 8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-bis(trifluoromethyl)indeno[1,2-b]pyridine;8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-diethylindeno[1,2-b]pyridine;bis(8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-dimethylindeno[1,2-b]pyridine) is CC1(C)c2ccc(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccccc4)c4ccccc4c3-c3ccccc3)cc2-c2ncccc21.CC1(C)c2ccc(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccccc4)c4ccccc4c3-c3ccccc3)cc2-c2ncccc21.CCC1(CC)c2ccc(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccccc4)c4ccccc4c3-c3ccccc3)cc2-c2ncccc21.FC(F)(F)C1(C(F)(F)F)c2ccc(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccccc4)c4ccccc4c3-c3ccccc3)cc2-c2ncccc21.
What is the InChIKey of 8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-bis(trifluoromethyl)indeno[1,2-b]pyridine;8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-diethylindeno[1,2-b]pyridine;bis(8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-dimethylindeno[1,2-b]pyridine)?
The InChIKey is ATGKPJHJFSAMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35N.C46H25F6N.2C46H31N/c1-3-48(4-2)40-27-24-32(29-39(40)47-41(48)23-14-28-49-47)33-25-26-38-44-34(33)21-13-22-37(44)45-42(30-15-7-5-8-16-30)35-19-11-12-20-36(35)43(46(38)45)31-17-9-6-10-18-31;47-45(48,49)44(46(50,51)52)36-23-20-28(25-35(36)43-37(44)19-10-24-53-43)29-21-22-34-40-30(29)17-9-18-33(40)41-38(26-11-3-1-4-12-26)31-15-7-8-16-32(31)39(42(34)41)27-13-5-2-6-14-27;2*1-46(2)38-25-22-30(27-37(38)45-39(46)21-12-26-47-45)31-23-24-36-42-32(31)19-11-20-35(42)43-40(28-13-5-3-6-14-28)33-17-9-10-18-34(33)41(44(36)43)29-15-7-4-8-16-29/h5-29H,3-4H2,1-2H3;1-25H;2*3-27H,1-2H3.
What are the key properties of 8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-bis(trifluoromethyl)indeno[1,2-b]pyridine;8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-diethylindeno[1,2-b]pyridine;bis(8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-dimethylindeno[1,2-b]pyridine)?
8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-bis(trifluoromethyl)indeno[1,2-b]pyridine;8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-diethylindeno[1,2-b]pyridine;bis(8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-dimethylindeno[1,2-b]pyridine) has a molecular weight of 2527.04 g/mol, XLogP of 51.24, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-bis(trifluoromethyl)indeno[1,2-b]pyridine;8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-diethylindeno[1,2-b]pyridine;bis(8-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5,5-dimethylindeno[1,2-b]pyridine) is sourced from PubChem (CID 157223414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).