9-(4,9-ditert-butyldibenzofuran-3-yl)carbazole

C32H31NO — CID 177242457

IUPAC9-(4,9-ditert-butyldibenzofuran-3-yl)carbazole
SMILESCC(C)(C)c1c(-n2c3ccccc3c3ccccc32)ccc2c1oc1cccc(C(C)(C)C)c12
InChIInChI=1S/C32H31NO/c1-31(2,3)23-14-11-17-27-28(23)22-18-19-26(29(30(22)34-27)32(4,5)6)33-24-15-9-7-12-20(24)21-13-8-10-16-25(21)33/h7-19H,1-6H3
InChIKeyCDXOPRNETGTIIP-UHFFFAOYSA-N
MW445.61 g/mol
LogP9.28
Rot. Bonds1

About 9-(4,9-ditert-butyldibenzofuran-3-yl)carbazole

9-(4,9-ditert-butyldibenzofuran-3-yl)carbazole (PubChem CID 177242457) has the molecular formula C32H31NO and a molecular weight of 445.61 g/mol. Its IUPAC name is 9-(4,9-ditert-butyldibenzofuran-3-yl)carbazole.

Molecular Properties

Compound Name9-(4,9-ditert-butyldibenzofuran-3-yl)carbazole
PubChem CID177242457
Molecular FormulaC32H31NO
Molecular Weight445.61 g/mol
Exact Mass445.24
IUPAC Name9-(4,9-ditert-butyldibenzofuran-3-yl)carbazole
SMILESCC(C)(C)c1c(-n2c3ccccc3c3ccccc32)ccc2c1oc1cccc(C(C)(C)C)c12
InChIInChI=1S/C32H31NO/c1-31(2,3)23-14-11-17-27-28(23)22-18-19-26(29(30(22)34-27)32(4,5)6)33-24-15-9-7-12-20(24)21-13-8-10-16-25(21)33/h7-19H,1-6H3
InChIKeyCDXOPRNETGTIIP-UHFFFAOYSA-N
XLogP9.28
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.61
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyldibenzofuran
CID 59078665
9-(2-tert-butylphenyl)-1-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzofuran-1-yl]carbazole
CID 176874279
9-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]carbazole
CID 156903324
9-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1(18),2,4,6,8,10,12(17),13,15-nonaen-4-yl)carbazole
CID 169060972
1-(4-tert-butyl-1-methylnaphthalen-2-yl)-6-carbazol-9-yl-2-methyl-[1]benzofuro[3,2-c]pyridin-2-ium
CID 171459238
CID 147993953
CID 147993953
12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2,6-ditert-butyl-3,5-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 139552710
1-tert-butyl-2-(3,5-ditert-butylphenyl)-9-phenyldibenzofuran;1-tert-butyl-2,9-diphenyldibenzofuran;1-tert-butyl-9-phenyldibenzofuran;9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;1-tert-butyl-9-phenyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)dibenzofuran;1,2-ditert-butyl-9-phenyldibenzofuran
CID 165096728
4-tert-butyl-3-carbazol-9-yl-5,9-diphenylcarbazole
CID 146579190
9-(2,5-ditert-butylphenyl)carbazole
CID 143599034
1-tert-butylbenzo[d][1,3,2]benzodioxaphosphepine
CID 123938498
2,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4,6-ditert-butylbenzene-1,3-dicarbonitrile
CID 139550395

Frequently Asked Questions

What is the IUPAC name of 9-(4,9-ditert-butyldibenzofuran-3-yl)carbazole?
The IUPAC name of 9-(4,9-ditert-butyldibenzofuran-3-yl)carbazole (CID 177242457) is 9-(4,9-ditert-butyldibenzofuran-3-yl)carbazole.
What is the SMILES notation for 9-(4,9-ditert-butyldibenzofuran-3-yl)carbazole?
The canonical SMILES for 9-(4,9-ditert-butyldibenzofuran-3-yl)carbazole is CC(C)(C)c1c(-n2c3ccccc3c3ccccc32)ccc2c1oc1cccc(C(C)(C)C)c12.
What is the InChIKey of 9-(4,9-ditert-butyldibenzofuran-3-yl)carbazole?
The InChIKey is CDXOPRNETGTIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31NO/c1-31(2,3)23-14-11-17-27-28(23)22-18-19-26(29(30(22)34-27)32(4,5)6)33-24-15-9-7-12-20(24)21-13-8-10-16-25(21)33/h7-19H,1-6H3.
What are the key properties of 9-(4,9-ditert-butyldibenzofuran-3-yl)carbazole?
9-(4,9-ditert-butyldibenzofuran-3-yl)carbazole has a molecular weight of 445.61 g/mol, XLogP of 9.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,9-ditert-butyldibenzofuran-3-yl)carbazole is sourced from PubChem (CID 177242457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).