2,4-bis(1-methylpyrrol-2-yl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;bis(2,4-dimethyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine);2,4-dipyridin-4-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;4-[4-quinolin-4-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]quinoline

C182H119N21 — CID 161023410

IUPAC2,4-bis(1-methylpyrrol-2-yl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;bis(2,4-dimethyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine);2,4-dipyridin-4-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;4-[4-quinolin-4-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]quinoline
SMILESCc1nc(C)nc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)n1.Cc1nc(C)nc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)n1.Cn1cccc1-c1nc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)nc(-c2cccn2C)n1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3nc(-c4ccnc5ccccc45)nc(-c4ccnc5ccccc45)n3)cc21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3nc(-c4ccncc4)nc(-c4ccncc4)n3)cc21
InChIInChI=1S/C46H27N5.C38H27N5.C38H23N5.2C30H21N3/c1-6-16-37-29(11-1)30-12-2-7-17-38(30)46(37)39-18-8-3-13-31(39)32-22-21-28(27-40(32)46)43-49-44(35-23-25-47-41-19-9-4-14-33(35)41)51-45(50-43)36-24-26-48-42-20-10-5-15-34(36)42;1-42-21-9-17-33(42)36-39-35(40-37(41-36)34-18-10-22-43(34)2)24-19-20-28-27-13-5-8-16-31(27)38(32(28)23-24)29-14-6-3-11-25(29)26-12-4-7-15-30(26)38;1-4-10-31-27(7-1)28-8-2-5-11-32(28)38(31)33-12-6-3-9-29(33)30-14-13-26(23-34(30)38)37-42-35(24-15-19-39-20-16-24)41-36(43-37)25-17-21-40-22-18-25;2*1-18-31-19(2)33-29(32-18)20-15-16-24-23-11-5-8-14-27(23)30(28(24)17-20)25-12-6-3-9-21(25)22-10-4-7-13-26(22)30/h1-27H;3-23H,1-2H3;1-23H;2*3-17H,1-2H3
InChIKeyTYRBOCSWPPCUBJ-UHFFFAOYSA-N
MW2600.10 g/mol
LogP39.21
Rot. Bonds11

About 2,4-bis(1-methylpyrrol-2-yl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;bis(2,4-dimethyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine);2,4-dipyridin-4-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;4-[4-quinolin-4-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]quinoline

2,4-bis(1-methylpyrrol-2-yl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;bis(2,4-dimethyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine);2,4-dipyridin-4-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;4-[4-quinolin-4-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]quinoline (PubChem CID 161023410) has the molecular formula C182H119N21 and a molecular weight of 2600.10 g/mol. Its IUPAC name is 2,4-bis(1-methylpyrrol-2-yl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;bis(2,4-dimethyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine);2,4-dipyridin-4-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;4-[4-quinolin-4-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]quinoline.

Molecular Properties

Compound Name2,4-bis(1-methylpyrrol-2-yl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;bis(2,4-dimethyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine);2,4-dipyridin-4-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;4-[4-quinolin-4-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]quinoline
PubChem CID161023410
Molecular FormulaC182H119N21
Molecular Weight2600.10 g/mol
Exact Mass2598.00
IUPAC Name2,4-bis(1-methylpyrrol-2-yl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;bis(2,4-dimethyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine);2,4-dipyridin-4-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;4-[4-quinolin-4-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]quinoline
SMILESCc1nc(C)nc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)n1.Cc1nc(C)nc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)n1.Cn1cccc1-c1nc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)nc(-c2cccn2C)n1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3nc(-c4ccnc5ccccc45)nc(-c4ccnc5ccccc45)n3)cc21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3nc(-c4ccncc4)nc(-c4ccncc4)n3)cc21
InChIInChI=1S/C46H27N5.C38H27N5.C38H23N5.2C30H21N3/c1-6-16-37-29(11-1)30-12-2-7-17-38(30)46(37)39-18-8-3-13-31(39)32-22-21-28(27-40(32)46)43-49-44(35-23-25-47-41-19-9-4-14-33(35)41)51-45(50-43)36-24-26-48-42-20-10-5-15-34(36)42;1-42-21-9-17-33(42)36-39-35(40-37(41-36)34-18-10-22-43(34)2)24-19-20-28-27-13-5-8-16-31(27)38(32(28)23-24)29-14-6-3-11-25(29)26-12-4-7-15-30(26)38;1-4-10-31-27(7-1)28-8-2-5-11-32(28)38(31)33-12-6-3-9-29(33)30-14-13-26(23-34(30)38)37-42-35(24-15-19-39-20-16-24)41-36(43-37)25-17-21-40-22-18-25;2*1-18-31-19(2)33-29(32-18)20-15-16-24-23-11-5-8-14-27(23)30(28(24)17-20)25-12-6-3-9-21(25)22-10-4-7-13-26(22)30/h1-27H;3-23H,1-2H3;1-23H;2*3-17H,1-2H3
InChIKeyTYRBOCSWPPCUBJ-UHFFFAOYSA-N
XLogP39.21
TPSA254.77 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds11
Heavy Atoms203
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002600.10
LogP ≤ 539.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 2,4-bis(1-methylpyrrol-2-yl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;bis(2,4-dimethyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine);2,4-dipyridin-4-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;4-[4-quinolin-4-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]quinoline with MolForge

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Related Compounds

2,4-dipyridin-4-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine
CID 130267940
4-[4-(4-pyridin-4-ylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazin-2-yl]benzonitrile
CID 130268503
2-quinolin-4-ylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]
CID 163458201
2-(5-naphthalen-1-ylnaphthalen-1-yl)-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 176587539
2-(5-methylcyclodeca-1,3,5,7,9-pentaen-1-yl)-4,6-bis(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 139376539
4-[4-[3,5-bis[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-6-quinolin-4-yl-1,3,5-triazin-2-yl]quinoline
CID 122427611
5-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]quinoline
CID 164793121
3-[4-[4,6-di(quinolin-4-yl)-1,3,5-triazin-2-yl]phenyl]isoquinoline
CID 122416233
2,4-dipyridin-4-yl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-yl-1,3,5-triazine
CID 134529390
2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-yl-1,3,5-triazine
CID 146778446
2-(4-naphthalen-1-ylphenyl)-4-pyridin-4-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-1,3,5-triazine
CID 130261119
CID 166995561
CID 166995561

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(1-methylpyrrol-2-yl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;bis(2,4-dimethyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine);2,4-dipyridin-4-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;4-[4-quinolin-4-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]quinoline?
The IUPAC name of 2,4-bis(1-methylpyrrol-2-yl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;bis(2,4-dimethyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine);2,4-dipyridin-4-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;4-[4-quinolin-4-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]quinoline (CID 161023410) is 2,4-bis(1-methylpyrrol-2-yl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;bis(2,4-dimethyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine);2,4-dipyridin-4-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;4-[4-quinolin-4-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]quinoline.
What is the SMILES notation for 2,4-bis(1-methylpyrrol-2-yl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;bis(2,4-dimethyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine);2,4-dipyridin-4-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;4-[4-quinolin-4-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]quinoline?
The canonical SMILES for 2,4-bis(1-methylpyrrol-2-yl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;bis(2,4-dimethyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine);2,4-dipyridin-4-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;4-[4-quinolin-4-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]quinoline is Cc1nc(C)nc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)n1.Cc1nc(C)nc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)n1.Cn1cccc1-c1nc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)nc(-c2cccn2C)n1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3nc(-c4ccnc5ccccc45)nc(-c4ccnc5ccccc45)n3)cc21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3nc(-c4ccncc4)nc(-c4ccncc4)n3)cc21.
What is the InChIKey of 2,4-bis(1-methylpyrrol-2-yl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;bis(2,4-dimethyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine);2,4-dipyridin-4-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;4-[4-quinolin-4-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]quinoline?
The InChIKey is TYRBOCSWPPCUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N5.C38H27N5.C38H23N5.2C30H21N3/c1-6-16-37-29(11-1)30-12-2-7-17-38(30)46(37)39-18-8-3-13-31(39)32-22-21-28(27-40(32)46)43-49-44(35-23-25-47-41-19-9-4-14-33(35)41)51-45(50-43)36-24-26-48-42-20-10-5-15-34(36)42;1-42-21-9-17-33(42)36-39-35(40-37(41-36)34-18-10-22-43(34)2)24-19-20-28-27-13-5-8-16-31(27)38(32(28)23-24)29-14-6-3-11-25(29)26-12-4-7-15-30(26)38;1-4-10-31-27(7-1)28-8-2-5-11-32(28)38(31)33-12-6-3-9-29(33)30-14-13-26(23-34(30)38)37-42-35(24-15-19-39-20-16-24)41-36(43-37)25-17-21-40-22-18-25;2*1-18-31-19(2)33-29(32-18)20-15-16-24-23-11-5-8-14-27(23)30(28(24)17-20)25-12-6-3-9-21(25)22-10-4-7-13-26(22)30/h1-27H;3-23H,1-2H3;1-23H;2*3-17H,1-2H3.
What are the key properties of 2,4-bis(1-methylpyrrol-2-yl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;bis(2,4-dimethyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine);2,4-dipyridin-4-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;4-[4-quinolin-4-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]quinoline?
2,4-bis(1-methylpyrrol-2-yl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;bis(2,4-dimethyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine);2,4-dipyridin-4-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;4-[4-quinolin-4-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]quinoline has a molecular weight of 2600.10 g/mol, XLogP of 39.21, 11 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(1-methylpyrrol-2-yl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;bis(2,4-dimethyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine);2,4-dipyridin-4-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;4-[4-quinolin-4-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]quinoline is sourced from PubChem (CID 161023410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).