9-[4,6-bis(5-methyl-2-pyridinyl)-1,3,5-triazin-2-yl]-3,6-dibutylcarbazole

C35H36N6 — CID 58518453

IUPAC9-[4,6-bis(5-methyl-2-pyridinyl)-1,3,5-triazin-2-yl]-3,6-dibutylcarbazole
SMILESCCCCc1ccc2c(c1)c1cc(CCCC)ccc1n2-c1nc(-c2ccc(C)cn2)nc(-c2ccc(C)cn2)n1
InChIInChI=1S/C35H36N6/c1-5-7-9-25-13-17-31-27(19-25)28-20-26(10-8-6-2)14-18-32(28)41(31)35-39-33(29-15-11-23(3)21-36-29)38-34(40-35)30-16-12-24(4)22-37-30/h11-22H,5-10H2,1-4H3
InChIKeyFRVKWEYLYHVQBD-UHFFFAOYSA-N
MW540.72 g/mol
LogP8.39
Rot. Bonds9

About 9-[4,6-bis(5-methyl-2-pyridinyl)-1,3,5-triazin-2-yl]-3,6-dibutylcarbazole

9-[4,6-bis(5-methyl-2-pyridinyl)-1,3,5-triazin-2-yl]-3,6-dibutylcarbazole (PubChem CID 58518453) has the molecular formula C35H36N6 and a molecular weight of 540.72 g/mol. Its IUPAC name is 9-[4,6-bis(5-methyl-2-pyridinyl)-1,3,5-triazin-2-yl]-3,6-dibutylcarbazole.

Molecular Properties

Compound Name9-[4,6-bis(5-methyl-2-pyridinyl)-1,3,5-triazin-2-yl]-3,6-dibutylcarbazole
PubChem CID58518453
Molecular FormulaC35H36N6
Molecular Weight540.72 g/mol
Exact Mass540.30
IUPAC Name9-[4,6-bis(5-methyl-2-pyridinyl)-1,3,5-triazin-2-yl]-3,6-dibutylcarbazole
SMILESCCCCc1ccc2c(c1)c1cc(CCCC)ccc1n2-c1nc(-c2ccc(C)cn2)nc(-c2ccc(C)cn2)n1
InChIInChI=1S/C35H36N6/c1-5-7-9-25-13-17-31-27(19-25)28-20-26(10-8-6-2)14-18-32(28)41(31)35-39-33(29-15-11-23(3)21-36-29)38-34(40-35)30-16-12-24(4)22-37-30/h11-22H,5-10H2,1-4H3
InChIKeyFRVKWEYLYHVQBD-UHFFFAOYSA-N
XLogP8.39
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.72
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,6-dibutyl-9-[2-[4-[2-(3-butyl-6-iodocarbazol-9-yl)phenyl]-6-[2-(3,6-diiodocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 166982201
butane;3,8-dibutyl-11-phenyl-12-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 142314968
3,6-dibutyl-9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]carbazole
CID 59845057
2,10-dibutyl-7-phenyl-5-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;7-phenyl-5-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;7-phenyl-5-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 165067145
2-[3-(4-butylphenyl)phenyl]-5-methylpyridine
CID 140633723
3,6-dibutyl-9-[4-[2-(3,6-dibutylcarbazol-9-yl)-4-pyridinyl]-2-pyridinyl]carbazole
CID 146355720
9-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(2-methylhexan-2-yl)carbazole
CID 58518448
9-[2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-dibutylcarbazole
CID 170221746
3-butyl-9-[4-(3-butyl-6-methylcarbazol-9-yl)phenyl]-6-methylcarbazole;N-[4-[4-(N-(4-butylphenyl)-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 123999534
2-(5-methyl-2-pyridinyl)-4,6-dipyridin-2-yl-1,3,5-triazine
CID 58261693
2-(4-hexylphenyl)-4,6-diphenylpyrimidine;2-(4-methylphenyl)-4,6-diphenylpyrimidine;2-(4-methylphenyl)-4,6-di(pyrimidin-2-yl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-di(pyrimidin-5-yl)-1,3,5-triazine;2-(5-methyl-2-pyridinyl)-4,6-dipyridin-2-yl-1,3,5-triazine
CID 160638422
12-[4,6-bis(3-octylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 157107156

Frequently Asked Questions

What is the IUPAC name of 9-[4,6-bis(5-methyl-2-pyridinyl)-1,3,5-triazin-2-yl]-3,6-dibutylcarbazole?
The IUPAC name of 9-[4,6-bis(5-methyl-2-pyridinyl)-1,3,5-triazin-2-yl]-3,6-dibutylcarbazole (CID 58518453) is 9-[4,6-bis(5-methyl-2-pyridinyl)-1,3,5-triazin-2-yl]-3,6-dibutylcarbazole.
What is the SMILES notation for 9-[4,6-bis(5-methyl-2-pyridinyl)-1,3,5-triazin-2-yl]-3,6-dibutylcarbazole?
The canonical SMILES for 9-[4,6-bis(5-methyl-2-pyridinyl)-1,3,5-triazin-2-yl]-3,6-dibutylcarbazole is CCCCc1ccc2c(c1)c1cc(CCCC)ccc1n2-c1nc(-c2ccc(C)cn2)nc(-c2ccc(C)cn2)n1.
What is the InChIKey of 9-[4,6-bis(5-methyl-2-pyridinyl)-1,3,5-triazin-2-yl]-3,6-dibutylcarbazole?
The InChIKey is FRVKWEYLYHVQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36N6/c1-5-7-9-25-13-17-31-27(19-25)28-20-26(10-8-6-2)14-18-32(28)41(31)35-39-33(29-15-11-23(3)21-36-29)38-34(40-35)30-16-12-24(4)22-37-30/h11-22H,5-10H2,1-4H3.
What are the key properties of 9-[4,6-bis(5-methyl-2-pyridinyl)-1,3,5-triazin-2-yl]-3,6-dibutylcarbazole?
9-[4,6-bis(5-methyl-2-pyridinyl)-1,3,5-triazin-2-yl]-3,6-dibutylcarbazole has a molecular weight of 540.72 g/mol, XLogP of 8.39, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4,6-bis(5-methyl-2-pyridinyl)-1,3,5-triazin-2-yl]-3,6-dibutylcarbazole is sourced from PubChem (CID 58518453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).