3,4-ditert-butyl-9-phenylcarbazole

C26H29N — CID 146578967

IUPAC3,4-ditert-butyl-9-phenylcarbazole
SMILESCC(C)(C)c1ccc2c(c1C(C)(C)C)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C26H29N/c1-25(2,3)20-16-17-22-23(24(20)26(4,5)6)19-14-10-11-15-21(19)27(22)18-12-8-7-9-13-18/h7-17H,1-6H3
InChIKeyADTMHIBHPNLOFZ-UHFFFAOYSA-N
MW355.52 g/mol
LogP7.38
Rot. Bonds1

About 3,4-ditert-butyl-9-phenylcarbazole

3,4-ditert-butyl-9-phenylcarbazole (PubChem CID 146578967) has the molecular formula C26H29N and a molecular weight of 355.52 g/mol. Its IUPAC name is 3,4-ditert-butyl-9-phenylcarbazole.

Molecular Properties

Compound Name3,4-ditert-butyl-9-phenylcarbazole
PubChem CID146578967
Molecular FormulaC26H29N
Molecular Weight355.52 g/mol
Exact Mass355.23
IUPAC Name3,4-ditert-butyl-9-phenylcarbazole
SMILESCC(C)(C)c1ccc2c(c1C(C)(C)C)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C26H29N/c1-25(2,3)20-16-17-22-23(24(20)26(4,5)6)19-14-10-11-15-21(19)27(22)18-12-8-7-9-13-18/h7-17H,1-6H3
InChIKeyADTMHIBHPNLOFZ-UHFFFAOYSA-N
XLogP7.38
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.52
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

12-tert-butyl-5,7-diphenylindolo[2,3-b]carbazole
CID 146579181
3,4-ditert-butyl-9-methylcarbazole
CID 155346853
1,4-ditert-butyl-9-phenylcarbazole
CID 169010323
4-tert-butyl-14-phenyl-9-[2-(9-phenylcarbazol-3-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 176824227
9-tert-butyl-5,12-diphenylindolo[3,2-c]carbazole
CID 58489582
9-phenyl-14-[10-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)anthracen-9-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170394033
1-tert-butyl-4-[4-(4-tert-butylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 170242275
4-tert-butyl-3-carbazol-9-yl-5,9-diphenylcarbazole
CID 146579190
9-[2-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 176824399
15-(4-tert-butylphenyl)-4,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
CID 176965488
3-(2-tert-butylphenyl)-9-phenylcarbazole
CID 165169210
trimethyl-[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]germane
CID 168805846

Frequently Asked Questions

What is the IUPAC name of 3,4-ditert-butyl-9-phenylcarbazole?
The IUPAC name of 3,4-ditert-butyl-9-phenylcarbazole (CID 146578967) is 3,4-ditert-butyl-9-phenylcarbazole.
What is the SMILES notation for 3,4-ditert-butyl-9-phenylcarbazole?
The canonical SMILES for 3,4-ditert-butyl-9-phenylcarbazole is CC(C)(C)c1ccc2c(c1C(C)(C)C)c1ccccc1n2-c1ccccc1.
What is the InChIKey of 3,4-ditert-butyl-9-phenylcarbazole?
The InChIKey is ADTMHIBHPNLOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N/c1-25(2,3)20-16-17-22-23(24(20)26(4,5)6)19-14-10-11-15-21(19)27(22)18-12-8-7-9-13-18/h7-17H,1-6H3.
What are the key properties of 3,4-ditert-butyl-9-phenylcarbazole?
3,4-ditert-butyl-9-phenylcarbazole has a molecular weight of 355.52 g/mol, XLogP of 7.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-ditert-butyl-9-phenylcarbazole is sourced from PubChem (CID 146578967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).