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

C78H84N2 — CID 167289522

IUPAC4-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
SMILESCC(C)(C)c1cc(-c2cccc3c2c2c(C(C)(C)C)cccc2n3-c2ccc(CC(C)(C)c3cc(-c4cccc5c4c4c(C(C)(C)C)c(-c6ccccc6)ccc4n5-c4ccccc4)cc(C(C)(C)C)c3)cc2)cc(C(C)(C)C)c1
InChIInChI=1S/C78H84N2/c1-73(2,3)54-43-52(44-55(47-54)74(4,5)6)60-31-24-34-64-68(60)70-63(76(10,11)12)33-26-36-66(70)80(64)59-39-37-50(38-40-59)49-78(16,17)57-46-53(45-56(48-57)75(7,8)9)61-32-25-35-65-69(61)71-67(79(65)58-29-22-19-23-30-58)42-41-62(72(71)77(13,14)15)51-27-20-18-21-28-51/h18-48H,49H2,1-17H3
InChIKeyGPRRKQUYYKGUNU-UHFFFAOYSA-N
MW1049.54 g/mol
LogP21.89
Rot. Bonds8

About 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

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 (PubChem CID 167289522) has the molecular formula C78H84N2 and a molecular weight of 1049.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID167289522
Molecular FormulaC78H84N2
Molecular Weight1049.54 g/mol
Exact Mass1048.66
IUPAC Name4-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
SMILESCC(C)(C)c1cc(-c2cccc3c2c2c(C(C)(C)C)cccc2n3-c2ccc(CC(C)(C)c3cc(-c4cccc5c4c4c(C(C)(C)C)c(-c6ccccc6)ccc4n5-c4ccccc4)cc(C(C)(C)C)c3)cc2)cc(C(C)(C)C)c1
InChIInChI=1S/C78H84N2/c1-73(2,3)54-43-52(44-55(47-54)74(4,5)6)60-31-24-34-64-68(60)70-63(76(10,11)12)33-26-36-66(70)80(64)59-39-37-50(38-40-59)49-78(16,17)57-46-53(45-56(48-57)75(7,8)9)61-32-25-35-65-69(61)71-67(79(65)58-29-22-19-23-30-58)42-41-62(72(71)77(13,14)15)51-27-20-18-21-28-51/h18-48H,49H2,1-17H3
InChIKeyGPRRKQUYYKGUNU-UHFFFAOYSA-N
XLogP21.89
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001049.54
LogP ≤ 521.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-9-(3,5-ditert-butylphenyl)-3,5-diphenylcarbazole
CID 146578604
4-tert-butyl-5-(3,5-ditert-butylphenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole
CID 158612142
4-tert-butyl-3-(3,5-ditert-butylphenyl)-5-[(3,5-ditert-butylphenyl)methyl]-9-phenylcarbazole
CID 166564271
3,4-ditert-butyl-5,9-bis(3,5-ditert-butylphenyl)carbazole
CID 146579007
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
4-tert-butyl-3-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-9-phenylcarbazole
CID 146578603
4-tert-butyl-3-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-9-phenylcarbazole;4-tert-butyl-5-(3,5-ditert-butylphenyl)-3,9-diphenylcarbazole;4-tert-butyl-5-(3,5-ditert-butylphenyl)-9-phenyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole
CID 159330147
4-tert-butyl-3,9-diphenyl-5-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole
CID 159484807
4-tert-butyl-3-(3,6-ditert-butylcarbazol-9-yl)-9-(3,5-ditert-butylphenyl)-5-phenylcarbazole;4-tert-butyl-9-(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)-3-phenylcarbazole;4-tert-butyl-9-(3,5-ditert-butylphenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole
CID 159479445
4-tert-butyl-5,9-diphenylcarbazole;2-tert-butyl-5,19-diphenyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;2-tert-butyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;12-tert-butyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-tert-butyl-3,5,9-triphenylcarbazole
CID 161374046
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-5-[(3,5-ditert-butylphenyl)methyl]-9-phenylcarbazole
CID 166564278

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1cc(-c2cccc3c2c2c(C(C)(C)C)cccc2n3-c2ccc(CC(C)(C)c3cc(-c4cccc5c4c4c(C(C)(C)C)c(-c6ccccc6)ccc4n5-c4ccccc4)cc(C(C)(C)C)c3)cc2)cc(C(C)(C)C)c1.
What is the InChIKey of 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?
The InChIKey is GPRRKQUYYKGUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H84N2/c1-73(2,3)54-43-52(44-55(47-54)74(4,5)6)60-31-24-34-64-68(60)70-63(76(10,11)12)33-26-36-66(70)80(64)59-39-37-50(38-40-59)49-78(16,17)57-46-53(45-56(48-57)75(7,8)9)61-32-25-35-65-69(61)71-67(79(65)58-29-22-19-23-30-58)42-41-62(72(71)77(13,14)15)51-27-20-18-21-28-51/h18-48H,49H2,1-17H3.
What are the key properties of 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?
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 has a molecular weight of 1049.54 g/mol, XLogP of 21.89, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167289522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).