9-[(2-tert-butyl-3,4,5,6-tetradeuteriophenyl)methyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole

C23H23N — CID 167379526

IUPAC9-[(2-tert-butyl-3,4,5,6-tetradeuteriophenyl)methyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
SMILES[2H]c1c([2H])c([2H])c(C(C)(C)C)c(Cn2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)c1[2H]
InChIInChI=1S/C23H23N/c1-23(2,3)20-13-7-4-10-17(20)16-24-21-14-8-5-11-18(21)19-12-6-9-15-22(19)24/h4-15H,16H2,1-3H3/i4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D
InChIKeyMKHCJUVMQIETQG-LBBHMSQHSA-N
MW325.52 g/mol
LogP6.14
Rot. Bonds2

About 9-[(2-tert-butyl-3,4,5,6-tetradeuteriophenyl)methyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole

9-[(2-tert-butyl-3,4,5,6-tetradeuteriophenyl)methyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole (PubChem CID 167379526) has the molecular formula C23H23N and a molecular weight of 325.52 g/mol. Its IUPAC name is 9-[(2-tert-butyl-3,4,5,6-tetradeuteriophenyl)methyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole.

Molecular Properties

Compound Name9-[(2-tert-butyl-3,4,5,6-tetradeuteriophenyl)methyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
PubChem CID167379526
Molecular FormulaC23H23N
Molecular Weight325.52 g/mol
Exact Mass325.26
IUPAC Name9-[(2-tert-butyl-3,4,5,6-tetradeuteriophenyl)methyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
SMILES[2H]c1c([2H])c([2H])c(C(C)(C)C)c(Cn2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)c1[2H]
InChIInChI=1S/C23H23N/c1-23(2,3)20-13-7-4-10-17(20)16-24-21-14-8-5-11-18(21)19-12-6-9-15-22(19)24/h4-15H,16H2,1-3H3/i4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D
InChIKeyMKHCJUVMQIETQG-LBBHMSQHSA-N
XLogP6.14
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.52
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-tert-butyl-3,4,5,6,10,11,14,15,16,17-decadeuterio-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 167379501
1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[[2-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methyl]phenyl]methyl]-1,3,5-triazin-2-yl]carbazole
CID 170941018
2-tert-butyl-3,4,5,6-tetradeuterio-N,N-bis(trideuteriomethyl)aniline
CID 171427393
2,7-ditert-butyl-9-ethylcarbazole-3,6-diol
CID 102526879
9-(2-tert-butylphenyl)-1-[(2,3,4,5,6-pentadeuteriophenyl)methyl]carbazole
CID 167345523
3-tert-butyl-9-[3-[3-(3-tert-butyl-1,2,4,5,6,7,8-heptadeuteriocarbazol-9-yl)phenyl]phenyl]-1,2,4,5,6,7,8-heptadeuteriocarbazole;2,3,4,5,6,7-hexadeuterio-9-[3-[3-(2,3,4,5,6,7-hexadeuteriocarbazol-9-yl)phenyl]phenyl]carbazole
CID 159033377
4-[(5-tert-butyl-2,3,4-trideuterio-6-fluorophenyl)-dideuteriomethyl]-2,3,3,5,5,6-hexadeuterio-2-methyl-6-(trideuteriomethyl)morpholine
CID 160532816
1,2,3,4,5,6,7,8-octadeuterio-9-[2,4-dideuterio-3,5-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]carbazole
CID 59270844
1-tert-butyl-2,3,4,5,6,7,8-heptadeuterio-9,9,10,10-tetramethylanthracene
CID 167379549
3,4-ditert-butylfuran
CID 15635411
9-(2,3-ditert-butylphenyl)-1-[(2,3,4,5,6-pentadeuteriophenyl)methyl]carbazole
CID 167345490
3,7,8,9,10,13,14,15,18,22,23,24,25,28,29,30-hexadecadeuterio-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene
CID 164841227

Frequently Asked Questions

What is the IUPAC name of 9-[(2-tert-butyl-3,4,5,6-tetradeuteriophenyl)methyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole?
The IUPAC name of 9-[(2-tert-butyl-3,4,5,6-tetradeuteriophenyl)methyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole (CID 167379526) is 9-[(2-tert-butyl-3,4,5,6-tetradeuteriophenyl)methyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole.
What is the SMILES notation for 9-[(2-tert-butyl-3,4,5,6-tetradeuteriophenyl)methyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole?
The canonical SMILES for 9-[(2-tert-butyl-3,4,5,6-tetradeuteriophenyl)methyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole is [2H]c1c([2H])c([2H])c(C(C)(C)C)c(Cn2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)c1[2H].
What is the InChIKey of 9-[(2-tert-butyl-3,4,5,6-tetradeuteriophenyl)methyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole?
The InChIKey is MKHCJUVMQIETQG-LBBHMSQHSA-N. The full InChI is InChI=1S/C23H23N/c1-23(2,3)20-13-7-4-10-17(20)16-24-21-14-8-5-11-18(21)19-12-6-9-15-22(19)24/h4-15H,16H2,1-3H3/i4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D.
What are the key properties of 9-[(2-tert-butyl-3,4,5,6-tetradeuteriophenyl)methyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole?
9-[(2-tert-butyl-3,4,5,6-tetradeuteriophenyl)methyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole has a molecular weight of 325.52 g/mol, XLogP of 6.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-tert-butyl-3,4,5,6-tetradeuteriophenyl)methyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole is sourced from PubChem (CID 167379526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).