3,4-ditert-butyl-5,9-bis(3,5-ditert-butylphenyl)carbazole

C48H65N — CID 146579007

IUPAC3,4-ditert-butyl-5,9-bis(3,5-ditert-butylphenyl)carbazole
SMILESCC(C)(C)c1cc(-c2cccc3c2c2c(C(C)(C)C)c(C(C)(C)C)ccc2n3-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1
InChIInChI=1S/C48H65N/c1-43(2,3)31-24-30(25-32(26-31)44(4,5)6)36-20-19-21-38-40(36)41-39(23-22-37(47(13,14)15)42(41)48(16,17)18)49(38)35-28-33(45(7,8)9)27-34(29-35)46(10,11)12/h19-29H,1-18H3
InChIKeyNEIIYXPNQUDEFS-UHFFFAOYSA-N
MW656.05 g/mol
LogP14.24
Rot. Bonds2

About 3,4-ditert-butyl-5,9-bis(3,5-ditert-butylphenyl)carbazole

3,4-ditert-butyl-5,9-bis(3,5-ditert-butylphenyl)carbazole (PubChem CID 146579007) has the molecular formula C48H65N and a molecular weight of 656.05 g/mol. Its IUPAC name is 3,4-ditert-butyl-5,9-bis(3,5-ditert-butylphenyl)carbazole.

Molecular Properties

Compound Name3,4-ditert-butyl-5,9-bis(3,5-ditert-butylphenyl)carbazole
PubChem CID146579007
Molecular FormulaC48H65N
Molecular Weight656.05 g/mol
Exact Mass655.51
IUPAC Name3,4-ditert-butyl-5,9-bis(3,5-ditert-butylphenyl)carbazole
SMILESCC(C)(C)c1cc(-c2cccc3c2c2c(C(C)(C)C)c(C(C)(C)C)ccc2n3-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1
InChIInChI=1S/C48H65N/c1-43(2,3)31-24-30(25-32(26-31)44(4,5)6)36-20-19-21-38-40(36)41-39(23-22-37(47(13,14)15)42(41)48(16,17)18)49(38)35-28-33(45(7,8)9)27-34(29-35)46(10,11)12/h19-29H,1-18H3
InChIKeyNEIIYXPNQUDEFS-UHFFFAOYSA-N
XLogP14.24
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.05
LogP ≤ 514.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-tert-butyl-5,9-bis(3,5-ditert-butylphenyl)-4-methylcarbazole
CID 164845430
4-tert-butyl-5,9-bis(3,5-ditert-butylphenyl)-3-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole;4-tert-butyl-3,5,9-tris(3,5-ditert-butylphenyl)carbazole;3,4-ditert-butyl-5,9-bis(3,5-ditert-butylphenyl)carbazole
CID 158942871
4-tert-butyl-9-(3,5-ditert-butylphenyl)-3,5-diphenylcarbazole
CID 146578604
4-tert-butyl-3,9-bis(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole;4-tert-butyl-9-(3,5-ditert-butylphenyl)-3-(9H-fluoren-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole;3,4-ditert-butyl-9-(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 157313147
4-tert-butyl-3-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-9-phenylcarbazole
CID 146578603
4-tert-butyl-5-(3,5-ditert-butylphenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole
CID 158612142
12,20-bis(3,5-ditert-butylphenyl)-14,14-dimethyl-20-azapentacyclo[13.3.1.16,9.02,7.08,13]icosa-1(19),2(7),3,5,8,10,12,15,17-nonaene
CID 146579609
4-tert-butyl-5-[3-tert-butyl-5-[1-[4-[4-tert-butyl-5-(3,5-ditert-butylphenyl)carbazol-9-yl]phenyl]-2-methylpropan-2-yl]phenyl]-3,9-diphenylcarbazole
CID 167289522
20-(3,5-ditert-butylphenyl)-14,14-dimethyl-20-azapentacyclo[13.3.1.16,9.02,7.08,13]icosa-1(19),2(7),3,5,8(13),9,11,15,17-nonaene
CID 146579608
4-tert-butyl-3-(3,5-ditert-butylphenyl)-5-[(3,5-ditert-butylphenyl)methyl]-9-phenylcarbazole
CID 166564271
4-tert-butyl-3-carbazol-9-yl-5,9-diphenylcarbazole;4-tert-butyl-3-carbazol-9-yl-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole;4-tert-butyl-3-(3,6-ditert-butylcarbazol-9-yl)-5,9-diphenylcarbazole;4-tert-butyl-3-(3,6-ditert-butylcarbazol-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole;4-tert-butyl-3-(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole;4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-3,9-diphenylcarbazole;4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole;4-tert-butyl-9-phenyl-5-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole;3,4-ditert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole
CID 164994587
3,4-ditert-butyl-9-phenylcarbazole
CID 146578967

Frequently Asked Questions

What is the IUPAC name of 3,4-ditert-butyl-5,9-bis(3,5-ditert-butylphenyl)carbazole?
The IUPAC name of 3,4-ditert-butyl-5,9-bis(3,5-ditert-butylphenyl)carbazole (CID 146579007) is 3,4-ditert-butyl-5,9-bis(3,5-ditert-butylphenyl)carbazole.
What is the SMILES notation for 3,4-ditert-butyl-5,9-bis(3,5-ditert-butylphenyl)carbazole?
The canonical SMILES for 3,4-ditert-butyl-5,9-bis(3,5-ditert-butylphenyl)carbazole is CC(C)(C)c1cc(-c2cccc3c2c2c(C(C)(C)C)c(C(C)(C)C)ccc2n3-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1.
What is the InChIKey of 3,4-ditert-butyl-5,9-bis(3,5-ditert-butylphenyl)carbazole?
The InChIKey is NEIIYXPNQUDEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H65N/c1-43(2,3)31-24-30(25-32(26-31)44(4,5)6)36-20-19-21-38-40(36)41-39(23-22-37(47(13,14)15)42(41)48(16,17)18)49(38)35-28-33(45(7,8)9)27-34(29-35)46(10,11)12/h19-29H,1-18H3.
What are the key properties of 3,4-ditert-butyl-5,9-bis(3,5-ditert-butylphenyl)carbazole?
3,4-ditert-butyl-5,9-bis(3,5-ditert-butylphenyl)carbazole has a molecular weight of 656.05 g/mol, XLogP of 14.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-ditert-butyl-5,9-bis(3,5-ditert-butylphenyl)carbazole is sourced from PubChem (CID 146579007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).