3-[5-[5-(4,6-diethyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-[2-(3,5-dimethylphenyl)phenyl]phenyl]-9-phenylcarbazole

C50H41N5 — CID 140838884

IUPAC3-[5-[5-(4,6-diethyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-[2-(3,5-dimethylphenyl)phenyl]phenyl]-9-phenylcarbazole
SMILESCCc1nc(CC)nc(-c2ccc(-c3ccc(-c4ccccc4-c4cc(C)cc(C)c4)c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)nc2)n1
InChIInChI=1S/C50H41N5/c1-5-48-52-49(6-2)54-50(53-48)36-21-24-45(51-31-36)35-20-23-41(40-17-11-10-16-39(40)37-27-32(3)26-33(4)28-37)43(30-35)34-22-25-47-44(29-34)42-18-12-13-19-46(42)55(47)38-14-8-7-9-15-38/h7-31H,5-6H2,1-4H3
InChIKeyOWPDLFMYUDTGBK-UHFFFAOYSA-N
MW711.91 g/mol
LogP12.44
Rot. Bonds8

About 3-[5-[5-(4,6-diethyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-[2-(3,5-dimethylphenyl)phenyl]phenyl]-9-phenylcarbazole

3-[5-[5-(4,6-diethyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-[2-(3,5-dimethylphenyl)phenyl]phenyl]-9-phenylcarbazole (PubChem CID 140838884) has the molecular formula C50H41N5 and a molecular weight of 711.91 g/mol. Its IUPAC name is 3-[5-[5-(4,6-diethyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-[2-(3,5-dimethylphenyl)phenyl]phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[5-[5-(4,6-diethyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-[2-(3,5-dimethylphenyl)phenyl]phenyl]-9-phenylcarbazole
PubChem CID140838884
Molecular FormulaC50H41N5
Molecular Weight711.91 g/mol
Exact Mass711.34
IUPAC Name3-[5-[5-(4,6-diethyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-[2-(3,5-dimethylphenyl)phenyl]phenyl]-9-phenylcarbazole
SMILESCCc1nc(CC)nc(-c2ccc(-c3ccc(-c4ccccc4-c4cc(C)cc(C)c4)c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)nc2)n1
InChIInChI=1S/C50H41N5/c1-5-48-52-49(6-2)54-50(53-48)36-21-24-45(51-31-36)35-20-23-41(40-17-11-10-16-39(40)37-27-32(3)26-33(4)28-37)43(30-35)34-22-25-47-44(29-34)42-18-12-13-19-46(42)55(47)38-14-8-7-9-15-38/h7-31H,5-6H2,1-4H3
InChIKeyOWPDLFMYUDTGBK-UHFFFAOYSA-N
XLogP12.44
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.91
LogP ≤ 512.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-phenyl-3-[5-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]-2-pyridinyl]carbazole
CID 56943928
2-[6-[4-[2-(3,5-dimethylphenyl)phenyl]-3-phenylphenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 140838721
3-[2-[2,6-bis(2,6-diphenyl-4-pyridinyl)-4-pyridinyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 139533350
2-[6-[4-[2-(3,5-dimethylphenyl)phenyl]-3-(3-phenylphenyl)phenyl]-3-pyridinyl]-4,6-diphenylpyrimidine
CID 140839015
9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 118699054
3-carbazol-9-yl-9-[3-carbazol-9-yl-5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]carbazole
CID 168836615
3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole;3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-9-(4-phenylphenyl)carbazole;3-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole
CID 159928100
3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole
CID 70934601
5-[2-[6-phenyl-4-(9-phenylcarbazol-3-yl)-3-pyridinyl]phenyl]benzene-1,3-diol
CID 154679914
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 171402410
3-[9-[4-[4-(2,5-diphenylphenyl)-6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134236859
2-benzyl-4-[6-[4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazine
CID 140838537

Frequently Asked Questions

What is the IUPAC name of 3-[5-[5-(4,6-diethyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-[2-(3,5-dimethylphenyl)phenyl]phenyl]-9-phenylcarbazole?
The IUPAC name of 3-[5-[5-(4,6-diethyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-[2-(3,5-dimethylphenyl)phenyl]phenyl]-9-phenylcarbazole (CID 140838884) is 3-[5-[5-(4,6-diethyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-[2-(3,5-dimethylphenyl)phenyl]phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[5-[5-(4,6-diethyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-[2-(3,5-dimethylphenyl)phenyl]phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[5-[5-(4,6-diethyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-[2-(3,5-dimethylphenyl)phenyl]phenyl]-9-phenylcarbazole is CCc1nc(CC)nc(-c2ccc(-c3ccc(-c4ccccc4-c4cc(C)cc(C)c4)c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)nc2)n1.
What is the InChIKey of 3-[5-[5-(4,6-diethyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-[2-(3,5-dimethylphenyl)phenyl]phenyl]-9-phenylcarbazole?
The InChIKey is OWPDLFMYUDTGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H41N5/c1-5-48-52-49(6-2)54-50(53-48)36-21-24-45(51-31-36)35-20-23-41(40-17-11-10-16-39(40)37-27-32(3)26-33(4)28-37)43(30-35)34-22-25-47-44(29-34)42-18-12-13-19-46(42)55(47)38-14-8-7-9-15-38/h7-31H,5-6H2,1-4H3.
What are the key properties of 3-[5-[5-(4,6-diethyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-[2-(3,5-dimethylphenyl)phenyl]phenyl]-9-phenylcarbazole?
3-[5-[5-(4,6-diethyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-[2-(3,5-dimethylphenyl)phenyl]phenyl]-9-phenylcarbazole has a molecular weight of 711.91 g/mol, XLogP of 12.44, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[5-(4,6-diethyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-[2-(3,5-dimethylphenyl)phenyl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 140838884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).