2-[4-(4-tert-butylphenyl)-6-chloro-1,3,5-triazin-2-yl]-9-(4-tert-butyl-2-pyridinyl)carbazole

C34H32ClN5 — CID 164786555

IUPAC2-[4-(4-tert-butylphenyl)-6-chloro-1,3,5-triazin-2-yl]-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILESCC(C)(C)c1ccc(-c2nc(Cl)nc(-c3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)n2)cc1
InChIInChI=1S/C34H32ClN5/c1-33(2,3)23-14-11-21(12-15-23)30-37-31(39-32(35)38-30)22-13-16-26-25-9-7-8-10-27(25)40(28(26)19-22)29-20-24(17-18-36-29)34(4,5)6/h7-20H,1-6H3
InChIKeyRDXHZFQNCHLCEF-UHFFFAOYSA-N
MW546.12 g/mol
LogP8.95
Rot. Bonds3

About 2-[4-(4-tert-butylphenyl)-6-chloro-1,3,5-triazin-2-yl]-9-(4-tert-butyl-2-pyridinyl)carbazole

2-[4-(4-tert-butylphenyl)-6-chloro-1,3,5-triazin-2-yl]-9-(4-tert-butyl-2-pyridinyl)carbazole (PubChem CID 164786555) has the molecular formula C34H32ClN5 and a molecular weight of 546.12 g/mol. Its IUPAC name is 2-[4-(4-tert-butylphenyl)-6-chloro-1,3,5-triazin-2-yl]-9-(4-tert-butyl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[4-(4-tert-butylphenyl)-6-chloro-1,3,5-triazin-2-yl]-9-(4-tert-butyl-2-pyridinyl)carbazole
PubChem CID164786555
Molecular FormulaC34H32ClN5
Molecular Weight546.12 g/mol
Exact Mass545.23
IUPAC Name2-[4-(4-tert-butylphenyl)-6-chloro-1,3,5-triazin-2-yl]-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILESCC(C)(C)c1ccc(-c2nc(Cl)nc(-c3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)n2)cc1
InChIInChI=1S/C34H32ClN5/c1-33(2,3)23-14-11-21(12-15-23)30-37-31(39-32(35)38-30)22-13-16-26-25-9-7-8-10-27(25)40(28(26)19-22)29-20-24(17-18-36-29)34(4,5)6/h7-20H,1-6H3
InChIKeyRDXHZFQNCHLCEF-UHFFFAOYSA-N
XLogP8.95
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.12
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(4-tert-butyl-2-pyridinyl)carbazole
CID 141429222
9-[4-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-2-dibenzothiophen-3-ylcarbazole;9-[6-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-2-dibenzothiophen-3-ylcarbazole
CID 159537998
20-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-17-pyridin-2-yl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
CID 163456260
9-(4-tert-butyl-2-pyridinyl)-2-[4-(2,6-ditert-butylphenyl)-6-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 164786675
2-[3-tert-butyl-5-[(4-tert-butyl-2-pyridinyl)oxy]phenyl]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 153421843
15-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-18-phenyl-8-oxa-15-azatetracyclo[14.4.0.02,7.09,14]icosa-1(16),2,4,6,9,11,13,17,19-nonaene
CID 176861943
5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-7-phenylindolo[2,3-b]carbazole
CID 118504560
2-(3-tert-butyl-5-isoquinolin-1-yloxyphenyl)-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 153421001
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
9-(4-tert-butyl-2-pyridinyl)-2-[2-(3-phenyl-2-pyridinyl)carbazol-9-yl]carbazole
CID 161155623
9-(4-tert-butyl-2-pyridinyl)-2-[4-[3-tert-butyl-5-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)phenyl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 176862410
4-tert-butyl-8-[2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 170521788

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-tert-butylphenyl)-6-chloro-1,3,5-triazin-2-yl]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The IUPAC name of 2-[4-(4-tert-butylphenyl)-6-chloro-1,3,5-triazin-2-yl]-9-(4-tert-butyl-2-pyridinyl)carbazole (CID 164786555) is 2-[4-(4-tert-butylphenyl)-6-chloro-1,3,5-triazin-2-yl]-9-(4-tert-butyl-2-pyridinyl)carbazole.
What is the SMILES notation for 2-[4-(4-tert-butylphenyl)-6-chloro-1,3,5-triazin-2-yl]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The canonical SMILES for 2-[4-(4-tert-butylphenyl)-6-chloro-1,3,5-triazin-2-yl]-9-(4-tert-butyl-2-pyridinyl)carbazole is CC(C)(C)c1ccc(-c2nc(Cl)nc(-c3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)n2)cc1.
What is the InChIKey of 2-[4-(4-tert-butylphenyl)-6-chloro-1,3,5-triazin-2-yl]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The InChIKey is RDXHZFQNCHLCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32ClN5/c1-33(2,3)23-14-11-21(12-15-23)30-37-31(39-32(35)38-30)22-13-16-26-25-9-7-8-10-27(25)40(28(26)19-22)29-20-24(17-18-36-29)34(4,5)6/h7-20H,1-6H3.
What are the key properties of 2-[4-(4-tert-butylphenyl)-6-chloro-1,3,5-triazin-2-yl]-9-(4-tert-butyl-2-pyridinyl)carbazole?
2-[4-(4-tert-butylphenyl)-6-chloro-1,3,5-triazin-2-yl]-9-(4-tert-butyl-2-pyridinyl)carbazole has a molecular weight of 546.12 g/mol, XLogP of 8.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-tert-butylphenyl)-6-chloro-1,3,5-triazin-2-yl]-9-(4-tert-butyl-2-pyridinyl)carbazole is sourced from PubChem (CID 164786555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).