3-tert-butyl-9-[3-(3-carbazol-9-ylphenyl)phenyl]-6-tritylcarbazole

C59H46N2 — CID 142391271

IUPAC3-tert-butyl-9-[3-(3-carbazol-9-ylphenyl)phenyl]-6-tritylcarbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(c3ccccc3)(c3ccccc3)c3ccccc3)ccc1n2-c1cccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C59H46N2/c1-58(2,3)46-33-35-56-52(39-46)53-40-47(59(43-21-7-4-8-22-43,44-23-9-5-10-24-44)45-25-11-6-12-26-45)34-36-57(53)61(56)49-28-18-20-42(38-49)41-19-17-27-48(37-41)60-54-31-15-13-29-50(54)51-30-14-16-32-55(51)60/h4-40H,1-3H3
InChIKeyDYMUMNMCROZOTJ-UHFFFAOYSA-N
MW783.03 g/mol
LogP15.23
Rot. Bonds7

About 3-tert-butyl-9-[3-(3-carbazol-9-ylphenyl)phenyl]-6-tritylcarbazole

3-tert-butyl-9-[3-(3-carbazol-9-ylphenyl)phenyl]-6-tritylcarbazole (PubChem CID 142391271) has the molecular formula C59H46N2 and a molecular weight of 783.03 g/mol. Its IUPAC name is 3-tert-butyl-9-[3-(3-carbazol-9-ylphenyl)phenyl]-6-tritylcarbazole.

Molecular Properties

Compound Name3-tert-butyl-9-[3-(3-carbazol-9-ylphenyl)phenyl]-6-tritylcarbazole
PubChem CID142391271
Molecular FormulaC59H46N2
Molecular Weight783.03 g/mol
Exact Mass782.37
IUPAC Name3-tert-butyl-9-[3-(3-carbazol-9-ylphenyl)phenyl]-6-tritylcarbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(c3ccccc3)(c3ccccc3)c3ccccc3)ccc1n2-c1cccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C59H46N2/c1-58(2,3)46-33-35-56-52(39-46)53-40-47(59(43-21-7-4-8-22-43,44-23-9-5-10-24-44)45-25-11-6-12-26-45)34-36-57(53)61(56)49-28-18-20-42(38-49)41-19-17-27-48(37-41)60-54-31-15-13-29-50(54)51-30-14-16-32-55(51)60/h4-40H,1-3H3
InChIKeyDYMUMNMCROZOTJ-UHFFFAOYSA-N
XLogP15.23
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.03
LogP ≤ 515.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]-6-tritylcarbazole
CID 130230832
9-[3-carbazol-9-yl-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;3,6-ditert-butyl-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole;9-[3,5-di(carbazol-9-yl)phenyl]-3-tritylcarbazole
CID 159638149
9-[3-(3-carbazol-9-ylphenyl)phenyl]-3-(1,1,1-trideuterio-2-methylpropan-2-yl)carbazole
CID 88594409
9-phenyl-3-(3-tritylcarbazol-9-yl)carbazole
CID 164756650
3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole
CID 59399108
9-[3,5-di(carbazol-9-yl)phenyl]-3-tritylcarbazole
CID 59399865
3-[9-[3-[3-(4-tert-butylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 167259635
3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314
3-tert-butyl-6-deuterio-9-[3-[3-(3,6-dideuteriocarbazol-9-yl)phenyl]phenyl]carbazole
CID 59399854
3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-(4-tritylphenyl)carbazole
CID 130231251
2-tert-butyl-9-[3-[3-(2-tert-butylcarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]carbazole
CID 59501634
5-[9-[3-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-7-phenylindolo[2,3-b]carbazole
CID 167260203

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-9-[3-(3-carbazol-9-ylphenyl)phenyl]-6-tritylcarbazole?
The IUPAC name of 3-tert-butyl-9-[3-(3-carbazol-9-ylphenyl)phenyl]-6-tritylcarbazole (CID 142391271) is 3-tert-butyl-9-[3-(3-carbazol-9-ylphenyl)phenyl]-6-tritylcarbazole.
What is the SMILES notation for 3-tert-butyl-9-[3-(3-carbazol-9-ylphenyl)phenyl]-6-tritylcarbazole?
The canonical SMILES for 3-tert-butyl-9-[3-(3-carbazol-9-ylphenyl)phenyl]-6-tritylcarbazole is CC(C)(C)c1ccc2c(c1)c1cc(C(c3ccccc3)(c3ccccc3)c3ccccc3)ccc1n2-c1cccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1.
What is the InChIKey of 3-tert-butyl-9-[3-(3-carbazol-9-ylphenyl)phenyl]-6-tritylcarbazole?
The InChIKey is DYMUMNMCROZOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H46N2/c1-58(2,3)46-33-35-56-52(39-46)53-40-47(59(43-21-7-4-8-22-43,44-23-9-5-10-24-44)45-25-11-6-12-26-45)34-36-57(53)61(56)49-28-18-20-42(38-49)41-19-17-27-48(37-41)60-54-31-15-13-29-50(54)51-30-14-16-32-55(51)60/h4-40H,1-3H3.
What are the key properties of 3-tert-butyl-9-[3-(3-carbazol-9-ylphenyl)phenyl]-6-tritylcarbazole?
3-tert-butyl-9-[3-(3-carbazol-9-ylphenyl)phenyl]-6-tritylcarbazole has a molecular weight of 783.03 g/mol, XLogP of 15.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-9-[3-(3-carbazol-9-ylphenyl)phenyl]-6-tritylcarbazole is sourced from PubChem (CID 142391271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).