2-[4-quinolin-2-yl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazin-2-yl]quinoline

C46H27N5 — CID 142479205

IUPAC2-[4-quinolin-2-yl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazin-2-yl]quinoline
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(-c3nc(-c4ccc5ccccc5n4)nc(-c4ccc5ccccc5n4)n3)ccc21
InChIInChI=1S/C46H27N5/c1-9-19-39-28(11-1)22-25-41(47-39)44-49-43(50-45(51-44)42-26-23-29-12-2-10-20-40(29)48-42)30-21-24-38-34(27-30)33-15-5-8-18-37(33)46(38)35-16-6-3-13-31(35)32-14-4-7-17-36(32)46/h1-27H
InChIKeyVYALLEKTOXXNLE-UHFFFAOYSA-N
MW649.76 g/mol
LogP10.31
Rot. Bonds3

About 2-[4-quinolin-2-yl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazin-2-yl]quinoline

2-[4-quinolin-2-yl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazin-2-yl]quinoline (PubChem CID 142479205) has the molecular formula C46H27N5 and a molecular weight of 649.76 g/mol. Its IUPAC name is 2-[4-quinolin-2-yl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazin-2-yl]quinoline.

Molecular Properties

Compound Name2-[4-quinolin-2-yl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazin-2-yl]quinoline
PubChem CID142479205
Molecular FormulaC46H27N5
Molecular Weight649.76 g/mol
Exact Mass649.23
IUPAC Name2-[4-quinolin-2-yl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazin-2-yl]quinoline
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(-c3nc(-c4ccc5ccccc5n4)nc(-c4ccc5ccccc5n4)n3)ccc21
InChIInChI=1S/C46H27N5/c1-9-19-39-28(11-1)22-25-41(47-39)44-49-43(50-45(51-44)42-26-23-29-12-2-10-20-40(29)48-42)30-21-24-38-34(27-30)33-15-5-8-18-37(33)46(38)35-16-6-3-13-31(35)32-14-4-7-17-36(32)46/h1-27H
InChIKeyVYALLEKTOXXNLE-UHFFFAOYSA-N
XLogP10.31
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.76
LogP ≤ 510.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(9,9'-spirobi[fluorene]-2-yl)-4,6-bis(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 58273816
2-[3-(1,3-benzoxazol-2-yl)-5-[4-quinolin-2-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 176740336
2,4-diphenyl-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 130261102
2,4-dinaphthalen-2-yl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine
CID 167359528
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 153302549
2-(9,9-diphenylfluoren-3-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 149082665
2-(4-methylphenyl)-4-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 171844757
2-(4-phenylphenyl)-4-(6-phenyl-3-pyridinyl)-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 146632433
4,6-bis(2-phenylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-ylpyrimidine
CID 153288133
2-(3,5-diphenylphenyl)-4-(4-phenylphenyl)-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 153288047
2,4-bis(2,3,4,5,6-pentadeuteriophenyl)-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 169060123
2-(3,5-diphenylphenyl)-4-[3-[3-[3-[3-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]-5-phenylphenyl]phenyl]phenyl]-5-phenylphenyl]phenyl]-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 167284789

Frequently Asked Questions

What is the IUPAC name of 2-[4-quinolin-2-yl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazin-2-yl]quinoline?
The IUPAC name of 2-[4-quinolin-2-yl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazin-2-yl]quinoline (CID 142479205) is 2-[4-quinolin-2-yl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazin-2-yl]quinoline.
What is the SMILES notation for 2-[4-quinolin-2-yl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazin-2-yl]quinoline?
The canonical SMILES for 2-[4-quinolin-2-yl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazin-2-yl]quinoline is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(-c3nc(-c4ccc5ccccc5n4)nc(-c4ccc5ccccc5n4)n3)ccc21.
What is the InChIKey of 2-[4-quinolin-2-yl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazin-2-yl]quinoline?
The InChIKey is VYALLEKTOXXNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N5/c1-9-19-39-28(11-1)22-25-41(47-39)44-49-43(50-45(51-44)42-26-23-29-12-2-10-20-40(29)48-42)30-21-24-38-34(27-30)33-15-5-8-18-37(33)46(38)35-16-6-3-13-31(35)32-14-4-7-17-36(32)46/h1-27H.
What are the key properties of 2-[4-quinolin-2-yl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazin-2-yl]quinoline?
2-[4-quinolin-2-yl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazin-2-yl]quinoline has a molecular weight of 649.76 g/mol, XLogP of 10.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-quinolin-2-yl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazin-2-yl]quinoline is sourced from PubChem (CID 142479205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).