3,6-ditert-butyl-1-(6-phenyl-2-pyridinyl)-8-pyridin-2-yl-9H-carbazole

C36H35N3 — CID 140902252

IUPAC3,6-ditert-butyl-1-(6-phenyl-2-pyridinyl)-8-pyridin-2-yl-9H-carbazole
SMILESCC(C)(C)c1cc(-c2ccccn2)c2[nH]c3c(-c4cccc(-c5ccccc5)n4)cc(C(C)(C)C)cc3c2c1
InChIInChI=1S/C36H35N3/c1-35(2,3)24-19-26-27-20-25(36(4,5)6)22-29(32-17-12-16-30(38-32)23-13-8-7-9-14-23)34(27)39-33(26)28(21-24)31-15-10-11-18-37-31/h7-22,39H,1-6H3
InChIKeyDCLDONGLPKQUCL-UHFFFAOYSA-N
MW509.70 g/mol
LogP9.71
Rot. Bonds3

About 3,6-ditert-butyl-1-(6-phenyl-2-pyridinyl)-8-pyridin-2-yl-9H-carbazole

3,6-ditert-butyl-1-(6-phenyl-2-pyridinyl)-8-pyridin-2-yl-9H-carbazole (PubChem CID 140902252) has the molecular formula C36H35N3 and a molecular weight of 509.70 g/mol. Its IUPAC name is 3,6-ditert-butyl-1-(6-phenyl-2-pyridinyl)-8-pyridin-2-yl-9H-carbazole.

Molecular Properties

Compound Name3,6-ditert-butyl-1-(6-phenyl-2-pyridinyl)-8-pyridin-2-yl-9H-carbazole
PubChem CID140902252
Molecular FormulaC36H35N3
Molecular Weight509.70 g/mol
Exact Mass509.28
IUPAC Name3,6-ditert-butyl-1-(6-phenyl-2-pyridinyl)-8-pyridin-2-yl-9H-carbazole
SMILESCC(C)(C)c1cc(-c2ccccn2)c2[nH]c3c(-c4cccc(-c5ccccc5)n4)cc(C(C)(C)C)cc3c2c1
InChIInChI=1S/C36H35N3/c1-35(2,3)24-19-26-27-20-25(36(4,5)6)22-29(32-17-12-16-30(38-32)23-13-8-7-9-14-23)34(27)39-33(26)28(21-24)31-15-10-11-18-37-31/h7-22,39H,1-6H3
InChIKeyDCLDONGLPKQUCL-UHFFFAOYSA-N
XLogP9.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.70
LogP ≤ 59.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-ditert-butyl-1-(6-phenyl-2-pyridinyl)-8-(6-phenylpyrimidin-4-yl)-9H-carbazole
CID 140902431
4,12-ditert-butyl-22-phenyl-8,29,30,31-tetrazaheptacyclo[23.3.1.115,19.120,24.02,7.06,10.09,14]hentriaconta-1(29),2,4,6,9,11,13,15(31),16,18,20(30),21,23,25,27-pentadecaene
CID 140932974
3,6-ditert-butyl-1-[6-(2H-isoindol-1-yl)-2-pyridinyl]-8-pyridin-2-yl-9H-carbazole
CID 140902473
3,6-difluoro-1-(6-phenyl-2-pyridinyl)-8-pyridin-2-yl-9H-carbazole
CID 140902302
3,6-dimethyl-1-phenyl-8-(6-pyridin-2-yl-2-pyridinyl)-9H-carbazole
CID 140902282
4,12-ditert-butyl-18,26-difluoro-17,27-diphenyl-8,29,30,31-tetrazaheptacyclo[23.3.1.115,19.120,24.02,7.06,10.09,14]hentriaconta-1(29),2,4,6,9,11,13,15(31),16,18,20,22,24(30),25,27-pentadecaene
CID 140932947
3,6-ditert-butyl-1-[4-(6-phenylnaphthalen-2-yl)-2-pyridinyl]-8-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]-9H-carbazole
CID 140902359
3,6-ditert-butyl-1-[3-[3,5-di(propan-2-yl)-2-pyridinyl]phenyl]-8-pyridin-2-yl-9H-carbazole
CID 164731273
3,6-ditert-butyl-1-[3-[5-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-8-pyridin-2-yl-9H-carbazole
CID 164731233
1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-8-(4-tert-butyl-2-pyridinyl)-3,6-diphenyl-9H-carbazole
CID 140902310
22-tert-butyl-4,12,17,27-tetraphenyl-8,29,30,31-tetrazaheptacyclo[23.3.1.115,19.120,24.02,7.06,10.09,14]hentriaconta-1(29),2,4,6,9,11,13,15(31),16,18,20(30),21,23,25,27-pentadecaene
CID 140932860
1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-3,6-diphenyl-8-(4-phenyl-2-pyridinyl)-9H-carbazole
CID 140902266

Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-1-(6-phenyl-2-pyridinyl)-8-pyridin-2-yl-9H-carbazole?
The IUPAC name of 3,6-ditert-butyl-1-(6-phenyl-2-pyridinyl)-8-pyridin-2-yl-9H-carbazole (CID 140902252) is 3,6-ditert-butyl-1-(6-phenyl-2-pyridinyl)-8-pyridin-2-yl-9H-carbazole.
What is the SMILES notation for 3,6-ditert-butyl-1-(6-phenyl-2-pyridinyl)-8-pyridin-2-yl-9H-carbazole?
The canonical SMILES for 3,6-ditert-butyl-1-(6-phenyl-2-pyridinyl)-8-pyridin-2-yl-9H-carbazole is CC(C)(C)c1cc(-c2ccccn2)c2[nH]c3c(-c4cccc(-c5ccccc5)n4)cc(C(C)(C)C)cc3c2c1.
What is the InChIKey of 3,6-ditert-butyl-1-(6-phenyl-2-pyridinyl)-8-pyridin-2-yl-9H-carbazole?
The InChIKey is DCLDONGLPKQUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35N3/c1-35(2,3)24-19-26-27-20-25(36(4,5)6)22-29(32-17-12-16-30(38-32)23-13-8-7-9-14-23)34(27)39-33(26)28(21-24)31-15-10-11-18-37-31/h7-22,39H,1-6H3.
What are the key properties of 3,6-ditert-butyl-1-(6-phenyl-2-pyridinyl)-8-pyridin-2-yl-9H-carbazole?
3,6-ditert-butyl-1-(6-phenyl-2-pyridinyl)-8-pyridin-2-yl-9H-carbazole has a molecular weight of 509.70 g/mol, XLogP of 9.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-1-(6-phenyl-2-pyridinyl)-8-pyridin-2-yl-9H-carbazole is sourced from PubChem (CID 140902252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).