6-(3,6-ditert-butylcarbazol-9-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyridin-2-amine

C46H42N6 — CID 154956127

IUPAC6-(3,6-ditert-butylcarbazol-9-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyridin-2-amine
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(-c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(N)n1
InChIInChI=1S/C46H42N6/c1-45(2,3)32-21-23-38-36(27-32)37-28-33(46(4,5)6)22-24-39(37)52(38)41-26-31(25-40(47)48-41)34-19-13-14-20-35(34)44-50-42(29-15-9-7-10-16-29)49-43(51-44)30-17-11-8-12-18-30/h7-28H,1-6H3,(H2,47,48)
InChIKeyPDMGYCMFZDUKSA-UHFFFAOYSA-N
MW678.88 g/mol
LogP11.21
Rot. Bonds5

About 6-(3,6-ditert-butylcarbazol-9-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyridin-2-amine

6-(3,6-ditert-butylcarbazol-9-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyridin-2-amine (PubChem CID 154956127) has the molecular formula C46H42N6 and a molecular weight of 678.88 g/mol. Its IUPAC name is 6-(3,6-ditert-butylcarbazol-9-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name6-(3,6-ditert-butylcarbazol-9-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyridin-2-amine
PubChem CID154956127
Molecular FormulaC46H42N6
Molecular Weight678.88 g/mol
Exact Mass678.35
IUPAC Name6-(3,6-ditert-butylcarbazol-9-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyridin-2-amine
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(-c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(N)n1
InChIInChI=1S/C46H42N6/c1-45(2,3)32-21-23-38-36(27-32)37-28-33(46(4,5)6)22-24-39(37)52(38)41-26-31(25-40(47)48-41)34-19-13-14-20-35(34)44-50-42(29-15-9-7-10-16-29)49-43(51-44)30-17-11-8-12-18-30/h7-28H,1-6H3,(H2,47,48)
InChIKeyPDMGYCMFZDUKSA-UHFFFAOYSA-N
XLogP11.21
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.88
LogP ≤ 511.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-diphenylphenyl]carbazole
CID 140903241
3,6-ditert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-pyridin-4-ylphenyl]carbazole
CID 142560218
3,6-ditert-butyl-9-[4-(2,6-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 153459784
3,6-ditert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-diphenylphenyl]carbazole
CID 140903129
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
3,6-ditert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-fluorophenyl)phenyl]carbazole
CID 138549530
3,6-ditert-butyl-9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole
CID 146281005
3,6-ditert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazole
CID 138549503
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
3,6-ditert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486384
2-[4-[2-(2-cyanophenyl)-4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-(3,6-ditert-butylcarbazol-9-yl)benzonitrile
CID 170664954

Frequently Asked Questions

What is the IUPAC name of 6-(3,6-ditert-butylcarbazol-9-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyridin-2-amine?
The IUPAC name of 6-(3,6-ditert-butylcarbazol-9-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyridin-2-amine (CID 154956127) is 6-(3,6-ditert-butylcarbazol-9-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyridin-2-amine.
What is the SMILES notation for 6-(3,6-ditert-butylcarbazol-9-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyridin-2-amine?
The canonical SMILES for 6-(3,6-ditert-butylcarbazol-9-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyridin-2-amine is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(-c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(N)n1.
What is the InChIKey of 6-(3,6-ditert-butylcarbazol-9-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyridin-2-amine?
The InChIKey is PDMGYCMFZDUKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H42N6/c1-45(2,3)32-21-23-38-36(27-32)37-28-33(46(4,5)6)22-24-39(37)52(38)41-26-31(25-40(47)48-41)34-19-13-14-20-35(34)44-50-42(29-15-9-7-10-16-29)49-43(51-44)30-17-11-8-12-18-30/h7-28H,1-6H3,(H2,47,48).
What are the key properties of 6-(3,6-ditert-butylcarbazol-9-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyridin-2-amine?
6-(3,6-ditert-butylcarbazol-9-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyridin-2-amine has a molecular weight of 678.88 g/mol, XLogP of 11.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,6-ditert-butylcarbazol-9-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyridin-2-amine is sourced from PubChem (CID 154956127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).