3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole

C38H36N2 — CID 59399108

IUPAC3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C38H36N2/c1-37(2,3)25-18-20-35-31(22-25)32-23-26(38(4,5)6)19-21-36(32)40(35)28-13-11-12-27(24-28)39-33-16-9-7-14-29(33)30-15-8-10-17-34(30)39/h7-24H,1-6H3
InChIKeyWOGAQSYXEQYTJM-UHFFFAOYSA-N
MW520.72 g/mol
LogP10.48
Rot. Bonds2

About 3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole

3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole (PubChem CID 59399108) has the molecular formula C38H36N2 and a molecular weight of 520.72 g/mol. Its IUPAC name is 3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole.

Molecular Properties

Compound Name3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole
PubChem CID59399108
Molecular FormulaC38H36N2
Molecular Weight520.72 g/mol
Exact Mass520.29
IUPAC Name3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C38H36N2/c1-37(2,3)25-18-20-35-31(22-25)32-23-26(38(4,5)6)19-21-36(32)40(35)28-13-11-12-27(24-28)39-33-16-9-7-14-29(33)30-15-8-10-17-34(30)39/h7-24H,1-6H3
InChIKeyWOGAQSYXEQYTJM-UHFFFAOYSA-N
XLogP10.48
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.72
LogP ≤ 510.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole?
The IUPAC name of 3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole (CID 59399108) is 3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole.
What is the SMILES notation for 3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole?
The canonical SMILES for 3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole?
The InChIKey is WOGAQSYXEQYTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36N2/c1-37(2,3)25-18-20-35-31(22-25)32-23-26(38(4,5)6)19-21-36(32)40(35)28-13-11-12-27(24-28)39-33-16-9-7-14-29(33)30-15-8-10-17-34(30)39/h7-24H,1-6H3.
What are the key properties of 3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole?
3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole has a molecular weight of 520.72 g/mol, XLogP of 10.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole is sourced from PubChem (CID 59399108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).