2-[2-(3,6-ditert-butylcarbazol-9-yl)phenyl]pyridine-3,5-dicarbonitrile

C33H30N4 — CID 146653886

IUPAC2-[2-(3,6-ditert-butylcarbazol-9-yl)phenyl]pyridine-3,5-dicarbonitrile
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccccc1-c1ncc(C#N)cc1C#N
InChIInChI=1S/C33H30N4/c1-32(2,3)23-11-13-29-26(16-23)27-17-24(33(4,5)6)12-14-30(27)37(29)28-10-8-7-9-25(28)31-22(19-35)15-21(18-34)20-36-31/h7-17,20H,1-6H3
InChIKeyYSKAXCKBZSKZMS-UHFFFAOYSA-N
MW482.63 g/mol
LogP8.18
Rot. Bonds2

About 2-[2-(3,6-ditert-butylcarbazol-9-yl)phenyl]pyridine-3,5-dicarbonitrile

2-[2-(3,6-ditert-butylcarbazol-9-yl)phenyl]pyridine-3,5-dicarbonitrile (PubChem CID 146653886) has the molecular formula C33H30N4 and a molecular weight of 482.63 g/mol. Its IUPAC name is 2-[2-(3,6-ditert-butylcarbazol-9-yl)phenyl]pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-[2-(3,6-ditert-butylcarbazol-9-yl)phenyl]pyridine-3,5-dicarbonitrile
PubChem CID146653886
Molecular FormulaC33H30N4
Molecular Weight482.63 g/mol
Exact Mass482.25
IUPAC Name2-[2-(3,6-ditert-butylcarbazol-9-yl)phenyl]pyridine-3,5-dicarbonitrile
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccccc1-c1ncc(C#N)cc1C#N
InChIInChI=1S/C33H30N4/c1-32(2,3)23-11-13-29-26(16-23)27-17-24(33(4,5)6)12-14-30(27)37(29)28-10-8-7-9-25(28)31-22(19-35)15-21(18-34)20-36-31/h7-17,20H,1-6H3
InChIKeyYSKAXCKBZSKZMS-UHFFFAOYSA-N
XLogP8.18
TPSA65.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.63
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]pyridine-3,5-dicarbonitrile
CID 146653909
2-[3-(5-cyanopyrimidin-2-yl)-4-(3,6-ditert-butylcarbazol-9-yl)phenyl]pyrimidine-5-carbonitrile
CID 171607158
3-[3-[4-[5-(3-cyanophenyl)-2-(3,6-ditert-butylcarbazol-9-yl)phenyl]-6-[2-(3-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-4-(3,6-ditert-butylcarbazol-9-yl)phenyl]benzonitrile
CID 162681299
3-[2,5-bis(3-tert-butylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile
CID 159452208
5-[9-[2-(5-cyanopyrimidin-2-yl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 170284994
4-[2-[6,9-bis[2-(2,4-dicyanophenyl)phenyl]carbazol-3-yl]phenyl]benzene-1,3-dicarbonitrile
CID 122431631
2-[2-[4,6-bis[4-(3-cyanophenyl)-2-(3,6-ditert-butylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 170134056
4-[5-(4-cyanophenyl)-2,4-bis(3,6-ditert-butylcarbazol-9-yl)phenyl]benzonitrile
CID 166831232
3-(3,6-ditert-butylcarbazol-9-yl)-4-[2-(3,6-ditert-butylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]benzonitrile
CID 138515731
4-[1-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]benzonitrile
CID 145345165
3,6-ditert-butyl-9-[2-[2-(3,6-ditert-butylcarbazol-9-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole
CID 170672621
2-[2-[3,6-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]carbazol-9-yl]phenyl]benzonitrile
CID 169284686

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,6-ditert-butylcarbazol-9-yl)phenyl]pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-[2-(3,6-ditert-butylcarbazol-9-yl)phenyl]pyridine-3,5-dicarbonitrile (CID 146653886) is 2-[2-(3,6-ditert-butylcarbazol-9-yl)phenyl]pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-[2-(3,6-ditert-butylcarbazol-9-yl)phenyl]pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-[2-(3,6-ditert-butylcarbazol-9-yl)phenyl]pyridine-3,5-dicarbonitrile is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccccc1-c1ncc(C#N)cc1C#N.
What is the InChIKey of 2-[2-(3,6-ditert-butylcarbazol-9-yl)phenyl]pyridine-3,5-dicarbonitrile?
The InChIKey is YSKAXCKBZSKZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N4/c1-32(2,3)23-11-13-29-26(16-23)27-17-24(33(4,5)6)12-14-30(27)37(29)28-10-8-7-9-25(28)31-22(19-35)15-21(18-34)20-36-31/h7-17,20H,1-6H3.
What are the key properties of 2-[2-(3,6-ditert-butylcarbazol-9-yl)phenyl]pyridine-3,5-dicarbonitrile?
2-[2-(3,6-ditert-butylcarbazol-9-yl)phenyl]pyridine-3,5-dicarbonitrile has a molecular weight of 482.63 g/mol, XLogP of 8.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,6-ditert-butylcarbazol-9-yl)phenyl]pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 146653886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).