9-(6-methyl-2-pyridinyl)-3,6-bis(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)carbazole

C46H30N10 — CID 58556118

IUPAC9-(6-methyl-2-pyridinyl)-3,6-bis(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)carbazole
SMILESCc1cccc(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccn5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccn5)n4)ccc32)n1
InChIInChI=1S/C46H30N10/c1-29-13-12-20-40(49-29)56-38-23-21-32(43-50-41(30-14-4-2-5-15-30)52-45(54-43)36-18-8-10-25-47-36)27-34(38)35-28-33(22-24-39(35)56)44-51-42(31-16-6-3-7-17-31)53-46(55-44)37-19-9-11-26-48-37/h2-28H,1H3
InChIKeyAAVMCYCOVPSQRS-UHFFFAOYSA-N
MW722.82 g/mol
LogP9.65
Rot. Bonds7

About 9-(6-methyl-2-pyridinyl)-3,6-bis(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)carbazole

9-(6-methyl-2-pyridinyl)-3,6-bis(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)carbazole (PubChem CID 58556118) has the molecular formula C46H30N10 and a molecular weight of 722.82 g/mol. Its IUPAC name is 9-(6-methyl-2-pyridinyl)-3,6-bis(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)carbazole.

Molecular Properties

Compound Name9-(6-methyl-2-pyridinyl)-3,6-bis(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)carbazole
PubChem CID58556118
Molecular FormulaC46H30N10
Molecular Weight722.82 g/mol
Exact Mass722.27
IUPAC Name9-(6-methyl-2-pyridinyl)-3,6-bis(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)carbazole
SMILESCc1cccc(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccn5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccn5)n4)ccc32)n1
InChIInChI=1S/C46H30N10/c1-29-13-12-20-40(49-29)56-38-23-21-32(43-50-41(30-14-4-2-5-15-30)52-45(54-43)36-18-8-10-25-47-36)27-34(38)35-28-33(22-24-39(35)56)44-51-42(31-16-6-3-7-17-31)53-46(55-44)37-19-9-11-26-48-37/h2-28H,1H3
InChIKeyAAVMCYCOVPSQRS-UHFFFAOYSA-N
XLogP9.65
TPSA120.94 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.82
LogP ≤ 59.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dipyridin-2-ylcarbazole
CID 167168656
3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole
CID 138578744
3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole
CID 138578511
9-(6-methyl-2-pyridinyl)-3-phenylcarbazole
CID 144734478
3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylphenyl]carbazole
CID 138578488
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylphenyl]-3,6-dimethylcarbazole
CID 138579314
3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole
CID 138578689
3-(9H-carbazol-3-yl)-9-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118699073
23-(4,6-diphenyl-1,3,5-triazin-2-yl)-23-azahexacyclo[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;23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[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;23-(5-pyridin-2-yl-2-pyridinyl)-23-azahexacyclo[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
CID 157323659
23-(4,6-diphenyl-1,3,5-triazin-2-yl)-23-azahexacyclo[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;23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[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;23-pyridin-2-yl-23-azahexacyclo[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;23-(5-pyridin-2-yl-2-pyridinyl)-23-azahexacyclo[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
CID 158709470
9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-phenylcarbazol-9-yl)phenyl]-3-pyridin-2-ylphenyl]-3-phenylcarbazole
CID 138663031
2-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-2-yl)-9-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(2-phenyl-6-pyridin-4-ylpyrimidin-4-yl)carbazole
CID 158904790

Frequently Asked Questions

What is the IUPAC name of 9-(6-methyl-2-pyridinyl)-3,6-bis(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)carbazole?
The IUPAC name of 9-(6-methyl-2-pyridinyl)-3,6-bis(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)carbazole (CID 58556118) is 9-(6-methyl-2-pyridinyl)-3,6-bis(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)carbazole.
What is the SMILES notation for 9-(6-methyl-2-pyridinyl)-3,6-bis(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)carbazole?
The canonical SMILES for 9-(6-methyl-2-pyridinyl)-3,6-bis(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)carbazole is Cc1cccc(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccn5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccn5)n4)ccc32)n1.
What is the InChIKey of 9-(6-methyl-2-pyridinyl)-3,6-bis(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)carbazole?
The InChIKey is AAVMCYCOVPSQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N10/c1-29-13-12-20-40(49-29)56-38-23-21-32(43-50-41(30-14-4-2-5-15-30)52-45(54-43)36-18-8-10-25-47-36)27-34(38)35-28-33(22-24-39(35)56)44-51-42(31-16-6-3-7-17-31)53-46(55-44)37-19-9-11-26-48-37/h2-28H,1H3.
What are the key properties of 9-(6-methyl-2-pyridinyl)-3,6-bis(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)carbazole?
9-(6-methyl-2-pyridinyl)-3,6-bis(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)carbazole has a molecular weight of 722.82 g/mol, XLogP of 9.65, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-methyl-2-pyridinyl)-3,6-bis(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)carbazole is sourced from PubChem (CID 58556118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).