4-(3,6-ditert-butylcarbazol-9-yl)benzaldehyde

C27H29NO — CID 15469210

IUPAC4-(3,6-ditert-butylcarbazol-9-yl)benzaldehyde
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C=O)cc1
InChIInChI=1S/C27H29NO/c1-26(2,3)19-9-13-24-22(15-19)23-16-20(27(4,5)6)10-14-25(23)28(24)21-11-7-18(17-29)8-12-21/h7-17H,1-6H3
InChIKeyMKTSBNCITFWYGV-UHFFFAOYSA-N
MW383.54 g/mol
LogP7.19
Rot. Bonds2

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

4-(3,6-ditert-butylcarbazol-9-yl)benzaldehyde (PubChem CID 15469210) has the molecular formula C27H29NO and a molecular weight of 383.54 g/mol. Its IUPAC name is 4-(3,6-ditert-butylcarbazol-9-yl)benzaldehyde.

Molecular Properties

Compound Name4-(3,6-ditert-butylcarbazol-9-yl)benzaldehyde
PubChem CID15469210
Molecular FormulaC27H29NO
Molecular Weight383.54 g/mol
Exact Mass383.22
IUPAC Name4-(3,6-ditert-butylcarbazol-9-yl)benzaldehyde
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C=O)cc1
InChIInChI=1S/C27H29NO/c1-26(2,3)19-9-13-24-22(15-19)23-16-20(27(4,5)6)10-14-25(23)28(24)21-11-7-18(17-29)8-12-21/h7-17H,1-6H3
InChIKeyMKTSBNCITFWYGV-UHFFFAOYSA-N
XLogP7.19
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.54
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3,6-ditert-butylcarbazol-9-yl)benzaldehyde?
The IUPAC name of 4-(3,6-ditert-butylcarbazol-9-yl)benzaldehyde (CID 15469210) is 4-(3,6-ditert-butylcarbazol-9-yl)benzaldehyde.
What is the SMILES notation for 4-(3,6-ditert-butylcarbazol-9-yl)benzaldehyde?
The canonical SMILES for 4-(3,6-ditert-butylcarbazol-9-yl)benzaldehyde is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C=O)cc1.
What is the InChIKey of 4-(3,6-ditert-butylcarbazol-9-yl)benzaldehyde?
The InChIKey is MKTSBNCITFWYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO/c1-26(2,3)19-9-13-24-22(15-19)23-16-20(27(4,5)6)10-14-25(23)28(24)21-11-7-18(17-29)8-12-21/h7-17H,1-6H3.
What are the key properties of 4-(3,6-ditert-butylcarbazol-9-yl)benzaldehyde?
4-(3,6-ditert-butylcarbazol-9-yl)benzaldehyde has a molecular weight of 383.54 g/mol, XLogP of 7.19, 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)benzaldehyde is sourced from PubChem (CID 15469210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).