9-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-1-ethylcarbazole

C48H57N — CID 174115641

IUPAC9-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-1-ethylcarbazole
SMILESCCc1cccc2c3ccccc3n(-c3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c3)c12
InChIInChI=1S/C48H57N/c1-14-31-18-17-20-42-41-19-15-16-21-43(41)49(44(31)42)40-27-32(34-23-36(45(2,3)4)29-37(24-34)46(5,6)7)22-33(28-40)35-25-38(47(8,9)10)30-39(26-35)48(11,12)13/h15-30H,14H2,1-13H3
InChIKeyHESVWNFYHJJBMR-UHFFFAOYSA-N
MW647.99 g/mol
LogP13.87
Rot. Bonds4

About 9-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-1-ethylcarbazole

9-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-1-ethylcarbazole (PubChem CID 174115641) has the molecular formula C48H57N and a molecular weight of 647.99 g/mol. Its IUPAC name is 9-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-1-ethylcarbazole.

Molecular Properties

Compound Name9-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-1-ethylcarbazole
PubChem CID174115641
Molecular FormulaC48H57N
Molecular Weight647.99 g/mol
Exact Mass647.45
IUPAC Name9-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-1-ethylcarbazole
SMILESCCc1cccc2c3ccccc3n(-c3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c3)c12
InChIInChI=1S/C48H57N/c1-14-31-18-17-20-42-41-19-15-16-21-43(41)49(44(31)42)40-27-32(34-23-36(45(2,3)4)29-37(24-34)46(5,6)7)22-33(28-40)35-25-38(47(8,9)10)30-39(26-35)48(11,12)13/h15-30H,14H2,1-13H3
InChIKeyHESVWNFYHJJBMR-UHFFFAOYSA-N
XLogP13.87
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.99
LogP ≤ 513.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-ditert-butylphenyl)-9-(2-ethylphenyl)carbazole
CID 167249351
1-(3,5-ditert-butylphenyl)-9-[3-(3,5-ditert-butylphenyl)-2-ethylphenyl]carbazole
CID 167068863
9-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-1-tert-butyl-2-(3,6-ditert-butylcarbazol-9-yl)carbazole;9-[3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-tert-butyl-2-(3,6-ditert-butylcarbazol-9-yl)carbazole
CID 159726780
9-[3-[3,5-bis[3,5-di(carbazol-9-yl)phenyl]phenyl]-5-carbazol-9-ylphenyl]carbazole
CID 102341656
1-ethyl-9-methylcarbazole
CID 21455608
12-(3-tert-butylphenyl)-11-phenylindolo[2,3-a]carbazole
CID 170268517
2-tert-butyl-9-[3-[3-(2-tert-butylcarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]carbazole
CID 59501634
1-(3,5-ditert-butylphenyl)carbazole-9-carboxamide
CID 175352867
9-(3,5-diphenylphenyl)carbazole
CID 86068368
12-(3,5-diphenylphenyl)-3,11-diphenylindolo[2,3-a]carbazole
CID 118318986
8-(3,5-diphenylphenyl)-8,15-diazahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(26),2,4,6,9,11,13,16,18,20,22,24-dodecaene
CID 145314312
9-[3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)phenyl]carbazole
CID 58769488

Frequently Asked Questions

What is the IUPAC name of 9-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-1-ethylcarbazole?
The IUPAC name of 9-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-1-ethylcarbazole (CID 174115641) is 9-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-1-ethylcarbazole.
What is the SMILES notation for 9-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-1-ethylcarbazole?
The canonical SMILES for 9-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-1-ethylcarbazole is CCc1cccc2c3ccccc3n(-c3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c3)c12.
What is the InChIKey of 9-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-1-ethylcarbazole?
The InChIKey is HESVWNFYHJJBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H57N/c1-14-31-18-17-20-42-41-19-15-16-21-43(41)49(44(31)42)40-27-32(34-23-36(45(2,3)4)29-37(24-34)46(5,6)7)22-33(28-40)35-25-38(47(8,9)10)30-39(26-35)48(11,12)13/h15-30H,14H2,1-13H3.
What are the key properties of 9-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-1-ethylcarbazole?
9-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-1-ethylcarbazole has a molecular weight of 647.99 g/mol, XLogP of 13.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-1-ethylcarbazole is sourced from PubChem (CID 174115641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).