1,4-ditert-butyl-9-phenylcarbazole

C26H29N — CID 169010323

IUPAC1,4-ditert-butyl-9-phenylcarbazole
SMILESCC(C)(C)c1ccc(C(C)(C)C)c2c1c1ccccc1n2-c1ccccc1
InChIInChI=1S/C26H29N/c1-25(2,3)20-16-17-21(26(4,5)6)24-23(20)19-14-10-11-15-22(19)27(24)18-12-8-7-9-13-18/h7-17H,1-6H3
InChIKeyXAGSGJWJDLLSQI-UHFFFAOYSA-N
MW355.52 g/mol
LogP7.38
Rot. Bonds1

About 1,4-ditert-butyl-9-phenylcarbazole

1,4-ditert-butyl-9-phenylcarbazole (PubChem CID 169010323) has the molecular formula C26H29N and a molecular weight of 355.52 g/mol. Its IUPAC name is 1,4-ditert-butyl-9-phenylcarbazole.

Molecular Properties

Compound Name1,4-ditert-butyl-9-phenylcarbazole
PubChem CID169010323
Molecular FormulaC26H29N
Molecular Weight355.52 g/mol
Exact Mass355.23
IUPAC Name1,4-ditert-butyl-9-phenylcarbazole
SMILESCC(C)(C)c1ccc(C(C)(C)C)c2c1c1ccccc1n2-c1ccccc1
InChIInChI=1S/C26H29N/c1-25(2,3)20-16-17-21(26(4,5)6)24-23(20)19-14-10-11-15-22(19)27(24)18-12-8-7-9-13-18/h7-17H,1-6H3
InChIKeyXAGSGJWJDLLSQI-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

1-tert-butyl-4-[4-(4-tert-butylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 170242275
3,4-ditert-butyl-9-phenylcarbazole
CID 146578967
6,12-bis(4-tert-butylphenyl)-5,7-diphenylindolo[2,3-b]carbazole
CID 171053131
12-tert-butyl-5,7-diphenylindolo[2,3-b]carbazole
CID 146579181
9-tert-butyl-5,12-diphenylindolo[3,2-c]carbazole
CID 58489582
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
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
1-carbazol-9-yl-9-[9-(9-phenylcarbazol-1-yl)carbazol-4-yl]carbazole
CID 177094947
1-(4-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-1-yl)carbazole
CID 177094929
12-(3-tert-butylphenyl)-11-phenylindolo[2,3-a]carbazole
CID 170268517
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
18,36-ditert-butyl-8,26-diphenyl-1,8,19,26-tetrazaundecacyclo[21.13.1.15,16.02,22.04,20.07,15.09,14.025,33.027,32.034,37.019,38]octatriaconta-2(22),3,5,7(15),9,11,13,16(38),17,20,23,25(33),27,29,31,34(37),35-heptadecaene
CID 162480356

Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butyl-9-phenylcarbazole?
The IUPAC name of 1,4-ditert-butyl-9-phenylcarbazole (CID 169010323) is 1,4-ditert-butyl-9-phenylcarbazole.
What is the SMILES notation for 1,4-ditert-butyl-9-phenylcarbazole?
The canonical SMILES for 1,4-ditert-butyl-9-phenylcarbazole is CC(C)(C)c1ccc(C(C)(C)C)c2c1c1ccccc1n2-c1ccccc1.
What is the InChIKey of 1,4-ditert-butyl-9-phenylcarbazole?
The InChIKey is XAGSGJWJDLLSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N/c1-25(2,3)20-16-17-21(26(4,5)6)24-23(20)19-14-10-11-15-22(19)27(24)18-12-8-7-9-13-18/h7-17H,1-6H3.
What are the key properties of 1,4-ditert-butyl-9-phenylcarbazole?
1,4-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 1,4-ditert-butyl-9-phenylcarbazole is sourced from PubChem (CID 169010323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).