3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole

C84H66N10 — CID 162049895

IUPAC3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ncc(-c2ccccc2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2cnc(-n3c4ccccc4c4ccccc43)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C46H41N5.C38H25N5/c1-45(2,3)34-22-24-39-36(27-34)37-28-35(46(4,5)6)23-25-40(37)51(39)44-38(26-33(29-47-44)30-16-10-7-11-17-30)43-49-41(31-18-12-8-13-19-31)48-42(50-43)32-20-14-9-15-21-32;1-4-14-26(15-5-1)29-24-32(38(39-25-29)43-33-22-12-10-20-30(33)31-21-11-13-23-34(31)43)37-41-35(27-16-6-2-7-17-27)40-36(42-37)28-18-8-3-9-19-28/h7-29H,1-6H3;1-25H
InChIKeyYYKIDLICVYWWBE-UHFFFAOYSA-N
MW1215.52 g/mol
LogP20.66
Rot. Bonds10

About 3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole

3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole (PubChem CID 162049895) has the molecular formula C84H66N10 and a molecular weight of 1215.52 g/mol. Its IUPAC name is 3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole.

Molecular Properties

Compound Name3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole
PubChem CID162049895
Molecular FormulaC84H66N10
Molecular Weight1215.52 g/mol
Exact Mass1214.55
IUPAC Name3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ncc(-c2ccccc2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2cnc(-n3c4ccccc4c4ccccc43)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C46H41N5.C38H25N5/c1-45(2,3)34-22-24-39-36(27-34)37-28-35(46(4,5)6)23-25-40(37)51(39)44-38(26-33(29-47-44)30-16-10-7-11-17-30)43-49-41(31-18-12-8-13-19-31)48-42(50-43)32-20-14-9-15-21-32;1-4-14-26(15-5-1)29-24-32(38(39-25-29)43-33-22-12-10-20-30(33)31-21-11-13-23-34(31)43)37-41-35(27-16-6-2-7-17-27)40-36(42-37)28-18-8-3-9-19-28/h7-29H,1-6H3;1-25H
InChIKeyYYKIDLICVYWWBE-UHFFFAOYSA-N
XLogP20.66
TPSA112.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001215.52
LogP ≤ 520.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole with MolForge

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Related Compounds

9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-3,6-diphenylcarbazole
CID 153460267
9-[5-[4-[5,6-bis[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]-3-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-2-pyridinyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole
CID 170928164
9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-ditert-butylcarbazole
CID 149127050
3,6-ditert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-bis(3-phenylcarbazol-9-yl)pyrimidin-2-yl]carbazole
CID 153461388
14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 153459540
9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-tert-butylcarbazole
CID 159670250
11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]-[1]benzothiolo[3,2-b]carbazole
CID 153460232
2-tert-butyl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-tert-butyl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2,7-ditert-butyl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3,6-ditert-butyl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 158906827
14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 153459959
3,6-ditert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-diphenylphenyl]carbazole
CID 140903241
5-(3-tert-butylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134476705
9-[4-[2-(3-tert-butylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3,6-bis(2-phenylphenyl)carbazole
CID 167285139

Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole?
The IUPAC name of 3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole (CID 162049895) is 3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole.
What is the SMILES notation for 3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole?
The canonical SMILES for 3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ncc(-c2ccccc2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2cnc(-n3c4ccccc4c4ccccc43)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole?
The InChIKey is YYKIDLICVYWWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H41N5.C38H25N5/c1-45(2,3)34-22-24-39-36(27-34)37-28-35(46(4,5)6)23-25-40(37)51(39)44-38(26-33(29-47-44)30-16-10-7-11-17-30)43-49-41(31-18-12-8-13-19-31)48-42(50-43)32-20-14-9-15-21-32;1-4-14-26(15-5-1)29-24-32(38(39-25-29)43-33-22-12-10-20-30(33)31-21-11-13-23-34(31)43)37-41-35(27-16-6-2-7-17-27)40-36(42-37)28-18-8-3-9-19-28/h7-29H,1-6H3;1-25H.
What are the key properties of 3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole?
3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole has a molecular weight of 1215.52 g/mol, XLogP of 20.66, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole is sourced from PubChem (CID 162049895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).