9-(4-tert-butyl-6-carbazol-9-yl-2-pyridinyl)carbazole

C33H27N3 — CID 155452447

IUPAC9-(4-tert-butyl-6-carbazol-9-yl-2-pyridinyl)carbazole
SMILESCC(C)(C)c1cc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C33H27N3/c1-33(2,3)22-20-31(35-27-16-8-4-12-23(27)24-13-5-9-17-28(24)35)34-32(21-22)36-29-18-10-6-14-25(29)26-15-7-11-19-30(26)36/h4-21H,1-3H3
InChIKeyDFBIZNJKEIREKH-UHFFFAOYSA-N
MW465.60 g/mol
LogP8.57
Rot. Bonds2

About 9-(4-tert-butyl-6-carbazol-9-yl-2-pyridinyl)carbazole

9-(4-tert-butyl-6-carbazol-9-yl-2-pyridinyl)carbazole (PubChem CID 155452447) has the molecular formula C33H27N3 and a molecular weight of 465.60 g/mol. Its IUPAC name is 9-(4-tert-butyl-6-carbazol-9-yl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name9-(4-tert-butyl-6-carbazol-9-yl-2-pyridinyl)carbazole
PubChem CID155452447
Molecular FormulaC33H27N3
Molecular Weight465.60 g/mol
Exact Mass465.22
IUPAC Name9-(4-tert-butyl-6-carbazol-9-yl-2-pyridinyl)carbazole
SMILESCC(C)(C)c1cc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C33H27N3/c1-33(2,3)22-20-31(35-27-16-8-4-12-23(27)24-13-5-9-17-28(24)35)34-32(21-22)36-29-18-10-6-14-25(29)26-15-7-11-19-30(26)36/h4-21H,1-3H3
InChIKeyDFBIZNJKEIREKH-UHFFFAOYSA-N
XLogP8.57
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.60
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(4-tert-butyl-2-pyridinyl)carbazole
CID 141429222
9-[6-[(6-carbazol-9-yl-2-pyridinyl)-bis(3,5-ditert-butylphenyl)methyl]-2-pyridinyl]carbazole
CID 140716189
9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(2-tert-butylcarbazol-9-yl)-2-pyridinyl]-2-tert-butylcarbazole
CID 146393925
9-[6-[bis(3-tert-butylphenyl)-(6-carbazol-9-yl-2-pyridinyl)methyl]-2-pyridinyl]carbazole
CID 140715626
9-[6-carbazol-9-yl-4-(3-methylphenyl)-2-pyridinyl]carbazole
CID 156574202
[4-carbazol-9-yl-6-(2,7-ditert-butylcarbazol-9-yl)-2-pyridinyl]boronic acid
CID 170671335
9-[4-[2-(3,5-ditert-butylphenyl)propan-2-yl]-2-pyridinyl]carbazol-2-ol
CID 139035892
9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile
CID 118650226
5-(3-carbazol-9-ylphenyl)-11-(6-carbazol-9-yl-2-pyridinyl)indolo[3,2-b]carbazole
CID 118458147
9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[2-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-2-(trifluoromethyl)carbazole
CID 146393939
3,6-ditert-butyl-9-[9-[5-[3-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-2-pyridinyl]carbazol-3-yl]carbazole
CID 163857203
5-(4-tert-butyl-2-pyridinyl)-7H-indolo[2,3-b]carbazole
CID 164823619

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-6-carbazol-9-yl-2-pyridinyl)carbazole?
The IUPAC name of 9-(4-tert-butyl-6-carbazol-9-yl-2-pyridinyl)carbazole (CID 155452447) is 9-(4-tert-butyl-6-carbazol-9-yl-2-pyridinyl)carbazole.
What is the SMILES notation for 9-(4-tert-butyl-6-carbazol-9-yl-2-pyridinyl)carbazole?
The canonical SMILES for 9-(4-tert-butyl-6-carbazol-9-yl-2-pyridinyl)carbazole is CC(C)(C)c1cc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-(4-tert-butyl-6-carbazol-9-yl-2-pyridinyl)carbazole?
The InChIKey is DFBIZNJKEIREKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27N3/c1-33(2,3)22-20-31(35-27-16-8-4-12-23(27)24-13-5-9-17-28(24)35)34-32(21-22)36-29-18-10-6-14-25(29)26-15-7-11-19-30(26)36/h4-21H,1-3H3.
What are the key properties of 9-(4-tert-butyl-6-carbazol-9-yl-2-pyridinyl)carbazole?
9-(4-tert-butyl-6-carbazol-9-yl-2-pyridinyl)carbazole has a molecular weight of 465.60 g/mol, XLogP of 8.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butyl-6-carbazol-9-yl-2-pyridinyl)carbazole is sourced from PubChem (CID 155452447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).