4-(3,6-ditert-butylcarbazol-9-yl)-2,6-dimethylbenzaldehyde

C29H33NO — CID 164801065

IUPAC4-(3,6-ditert-butylcarbazol-9-yl)-2,6-dimethylbenzaldehyde
SMILESCc1cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)cc(C)c1C=O
InChIInChI=1S/C29H33NO/c1-18-13-22(14-19(2)25(18)17-31)30-26-11-9-20(28(3,4)5)15-23(26)24-16-21(29(6,7)8)10-12-27(24)30/h9-17H,1-8H3
InChIKeyTUZWFCDVQQYMPK-UHFFFAOYSA-N
MW411.59 g/mol
LogP7.81
Rot. Bonds2

About 4-(3,6-ditert-butylcarbazol-9-yl)-2,6-dimethylbenzaldehyde

4-(3,6-ditert-butylcarbazol-9-yl)-2,6-dimethylbenzaldehyde (PubChem CID 164801065) has the molecular formula C29H33NO and a molecular weight of 411.59 g/mol. Its IUPAC name is 4-(3,6-ditert-butylcarbazol-9-yl)-2,6-dimethylbenzaldehyde.

Molecular Properties

Compound Name4-(3,6-ditert-butylcarbazol-9-yl)-2,6-dimethylbenzaldehyde
PubChem CID164801065
Molecular FormulaC29H33NO
Molecular Weight411.59 g/mol
Exact Mass411.26
IUPAC Name4-(3,6-ditert-butylcarbazol-9-yl)-2,6-dimethylbenzaldehyde
SMILESCc1cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)cc(C)c1C=O
InChIInChI=1S/C29H33NO/c1-18-13-22(14-19(2)25(18)17-31)30-26-11-9-20(28(3,4)5)15-23(26)24-16-21(29(6,7)8)10-12-27(24)30/h9-17H,1-8H3
InChIKeyTUZWFCDVQQYMPK-UHFFFAOYSA-N
XLogP7.81
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.59
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[3,6-bis[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]benzaldehyde
CID 24808308
9-[3,5-bis(3-tert-butyl-6-methylcarbazol-9-yl)phenyl]-3-tert-butyl-6-methylcarbazole
CID 59399788
3,6-ditert-butyl-9-[3-(3,6-ditert-butylcarbazol-9-yl)-5-iodophenyl]carbazole
CID 167114372
9-(4-bromophenyl)-3,6-ditert-butylcarbazole
CID 139082644
3,6-ditert-butyl-9-(3,5-dibromo-4-chlorophenyl)carbazole
CID 166581837
1,4-bis[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]furo[3,4-c]furan-3,6-dione
CID 118655447
2,7-ditert-butyl-10-(4-phenylphenyl)acridin-9-one
CID 176670415
3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole
CID 59399108
9-[3,5-di(carbazol-9-yl)phenyl]-3-tritylcarbazole
CID 59399865
3,6-ditert-butyl-9-[4-[(3-methylphenyl)methyl]phenyl]carbazole
CID 145348013
3-tert-butyl-9-[3-(3-carbazol-9-ylphenyl)phenyl]-6-tritylcarbazole
CID 142391271
3,6-ditert-butyl-9-[9-[4-[4-[3-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]sulfonylphenyl]carbazol-3-yl]carbazole
CID 118033417

Frequently Asked Questions

What is the IUPAC name of 4-(3,6-ditert-butylcarbazol-9-yl)-2,6-dimethylbenzaldehyde?
The IUPAC name of 4-(3,6-ditert-butylcarbazol-9-yl)-2,6-dimethylbenzaldehyde (CID 164801065) is 4-(3,6-ditert-butylcarbazol-9-yl)-2,6-dimethylbenzaldehyde.
What is the SMILES notation for 4-(3,6-ditert-butylcarbazol-9-yl)-2,6-dimethylbenzaldehyde?
The canonical SMILES for 4-(3,6-ditert-butylcarbazol-9-yl)-2,6-dimethylbenzaldehyde is Cc1cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)cc(C)c1C=O.
What is the InChIKey of 4-(3,6-ditert-butylcarbazol-9-yl)-2,6-dimethylbenzaldehyde?
The InChIKey is TUZWFCDVQQYMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33NO/c1-18-13-22(14-19(2)25(18)17-31)30-26-11-9-20(28(3,4)5)15-23(26)24-16-21(29(6,7)8)10-12-27(24)30/h9-17H,1-8H3.
What are the key properties of 4-(3,6-ditert-butylcarbazol-9-yl)-2,6-dimethylbenzaldehyde?
4-(3,6-ditert-butylcarbazol-9-yl)-2,6-dimethylbenzaldehyde has a molecular weight of 411.59 g/mol, XLogP of 7.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-ditert-butylcarbazol-9-yl)-2,6-dimethylbenzaldehyde is sourced from PubChem (CID 164801065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).