2,4-bis(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;methane

C105H73N5 — CID 160785329

IUPAC2,4-bis(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;methane
SMILESC.C.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4cccc(-c5nc6ccccc6n5-c5ccccc5)c4)c4cccc-3c24)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)n3)cc2)cc1
InChIInChI=1S/C52H33N3.C51H32N2.2CH4/c1-3-13-34(14-4-1)36-23-27-38(28-24-36)49-53-50(39-29-25-37(26-30-39)35-15-5-2-6-16-35)55-51(54-49)40-31-32-44-43-19-9-12-22-47(43)52(48(44)33-40)45-20-10-7-17-41(45)42-18-8-11-21-46(42)52;1-4-16-33(17-5-1)46-40-24-10-11-25-41(40)47(34-18-6-2-7-19-34)50-43-31-30-38(39-26-15-27-42(48(39)43)49(46)50)35-20-14-21-36(32-35)51-52-44-28-12-13-29-45(44)53(51)37-22-8-3-9-23-37;;/h1-33H;1-32H;2*1H4
InChIKeySBCYHMNOKOWXRR-UHFFFAOYSA-N
MW1404.77 g/mol
LogP27.47
Rot. Bonds10

About 2,4-bis(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;methane

2,4-bis(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;methane (PubChem CID 160785329) has the molecular formula C105H73N5 and a molecular weight of 1404.77 g/mol. Its IUPAC name is 2,4-bis(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;methane.

Molecular Properties

Compound Name2,4-bis(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;methane
PubChem CID160785329
Molecular FormulaC105H73N5
Molecular Weight1404.77 g/mol
Exact Mass1403.59
IUPAC Name2,4-bis(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;methane
SMILESC.C.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4cccc(-c5nc6ccccc6n5-c5ccccc5)c4)c4cccc-3c24)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)n3)cc2)cc1
InChIInChI=1S/C52H33N3.C51H32N2.2CH4/c1-3-13-34(14-4-1)36-23-27-38(28-24-36)49-53-50(39-29-25-37(26-30-39)35-15-5-2-6-16-35)55-51(54-49)40-31-32-44-43-19-9-12-22-47(43)52(48(44)33-40)45-20-10-7-17-41(45)42-18-8-11-21-46(42)52;1-4-16-33(17-5-1)46-40-24-10-11-25-41(40)47(34-18-6-2-7-19-34)50-43-31-30-38(39-26-15-27-42(48(39)43)49(46)50)35-20-14-21-36(32-35)51-52-44-28-12-13-29-45(44)53(51)37-22-8-3-9-23-37;;/h1-33H;1-32H;2*1H4
InChIKeySBCYHMNOKOWXRR-UHFFFAOYSA-N
XLogP27.47
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001404.77
LogP ≤ 527.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,4-bis(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;methane with MolForge

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Related Compounds

1-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-2-phenylbenzimidazole
CID 67991412
1-[3-[4-(2',7'-diphenyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
CID 118688264
1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-2-phenylbenzimidazole
CID 118688206
1-phenyl-2-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)benzimidazole
CID 137494336
2-[4-[10-[3-[3-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-7-phenylfluoranthen-3-yl]phenyl]-1-phenylbenzimidazole
CID 126612641
2-[4-[7-[3-[4-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-10-phenylfluoranthen-3-yl]phenyl]-1-phenylbenzimidazole
CID 126517504
2,4-bis(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;5-ethynyl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,10-phenanthroline;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2,4,5-triphenylimidazole;6-phenylpyrido[3,2-f][1,7]phenanthroline
CID 163639450
2-phenyl-1-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]benzimidazole
CID 118688255
1-(4-phenylphenyl)-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-ylbenzimidazole
CID 134528323
2-(4-phenylphenyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole
CID 170942090
1-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,7-diphenyl-9,9'-spirobi[fluorene]-2'-yl]-2-phenylbenzimidazole
CID 118688194
CID 23590277
CID 23590277

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;methane?
The IUPAC name of 2,4-bis(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;methane (CID 160785329) is 2,4-bis(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;methane.
What is the SMILES notation for 2,4-bis(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;methane?
The canonical SMILES for 2,4-bis(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;methane is C.C.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4cccc(-c5nc6ccccc6n5-c5ccccc5)c4)c4cccc-3c24)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)n3)cc2)cc1.
What is the InChIKey of 2,4-bis(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;methane?
The InChIKey is SBCYHMNOKOWXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3.C51H32N2.2CH4/c1-3-13-34(14-4-1)36-23-27-38(28-24-36)49-53-50(39-29-25-37(26-30-39)35-15-5-2-6-16-35)55-51(54-49)40-31-32-44-43-19-9-12-22-47(43)52(48(44)33-40)45-20-10-7-17-41(45)42-18-8-11-21-46(42)52;1-4-16-33(17-5-1)46-40-24-10-11-25-41(40)47(34-18-6-2-7-19-34)50-43-31-30-38(39-26-15-27-42(48(39)43)49(46)50)35-20-14-21-36(32-35)51-52-44-28-12-13-29-45(44)53(51)37-22-8-3-9-23-37;;/h1-33H;1-32H;2*1H4.
What are the key properties of 2,4-bis(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;methane?
2,4-bis(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;methane has a molecular weight of 1404.77 g/mol, XLogP of 27.47, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;methane is sourced from PubChem (CID 160785329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).