3,6-ditert-butyl-9-[9-[3-(2,4,6-triphenylphenyl)phenyl]carbazol-4-yl]carbazole

C62H52N2 — CID 164733169

IUPAC3,6-ditert-butyl-9-[9-[3-(2,4,6-triphenylphenyl)phenyl]carbazol-4-yl]carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc2c1c1ccccc1n2-c1cccc(-c2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)c1
InChIInChI=1S/C62H52N2/c1-61(2,3)46-32-34-55-52(39-46)53-40-47(62(4,5)6)33-35-56(53)64(55)58-31-19-30-57-60(58)49-28-16-17-29-54(49)63(57)48-27-18-26-44(36-48)59-50(42-22-12-8-13-23-42)37-45(41-20-10-7-11-21-41)38-51(59)43-24-14-9-15-25-43/h7-40H,1-6H3
InChIKeyVHTMVQXICVJITI-UHFFFAOYSA-N
MW825.11 g/mol
LogP17.14
Rot. Bonds6

About 3,6-ditert-butyl-9-[9-[3-(2,4,6-triphenylphenyl)phenyl]carbazol-4-yl]carbazole

3,6-ditert-butyl-9-[9-[3-(2,4,6-triphenylphenyl)phenyl]carbazol-4-yl]carbazole (PubChem CID 164733169) has the molecular formula C62H52N2 and a molecular weight of 825.11 g/mol. Its IUPAC name is 3,6-ditert-butyl-9-[9-[3-(2,4,6-triphenylphenyl)phenyl]carbazol-4-yl]carbazole.

Molecular Properties

Compound Name3,6-ditert-butyl-9-[9-[3-(2,4,6-triphenylphenyl)phenyl]carbazol-4-yl]carbazole
PubChem CID164733169
Molecular FormulaC62H52N2
Molecular Weight825.11 g/mol
Exact Mass824.41
IUPAC Name3,6-ditert-butyl-9-[9-[3-(2,4,6-triphenylphenyl)phenyl]carbazol-4-yl]carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc2c1c1ccccc1n2-c1cccc(-c2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)c1
InChIInChI=1S/C62H52N2/c1-61(2,3)46-32-34-55-52(39-46)53-40-47(62(4,5)6)33-35-56(53)64(55)58-31-19-30-57-60(58)49-28-16-17-29-54(49)63(57)48-27-18-26-44(36-48)59-50(42-22-12-8-13-23-42)37-45(41-20-10-7-11-21-41)38-51(59)43-24-14-9-15-25-43/h7-40H,1-6H3
InChIKeyVHTMVQXICVJITI-UHFFFAOYSA-N
XLogP17.14
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.11
LogP ≤ 517.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[4-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 162490215
3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3,5-diphenylphenyl)carbazole
CID 170374855
9-[2-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 176824399
3-carbazol-9-yl-9-[2-(3-carbazol-9-ylphenyl)phenyl]carbazole;4-carbazol-9-yl-9-[2-(3-carbazol-9-ylphenyl)phenyl]carbazole;[9-[3-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazol-2-yl]-triphenylsilane;3,6-ditert-butyl-9-[3-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 163943164
3-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole
CID 170659651
3-carbazol-9-yl-9-[9-(2,6-diphenylphenyl)carbazol-4-yl]carbazole
CID 170374891
4-(3-phenylphenyl)-9-[9-(3-phenylphenyl)carbazol-4-yl]carbazole
CID 171457959
9-(2-phenylphenyl)-4-[9-(3-phenylphenyl)carbazol-4-yl]carbazole
CID 138474938
4-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole
CID 170659856
9-[2-(7-tert-butyl-9-phenylcarbazol-3-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 176824256
3-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 167219651
3-tert-butyl-9-[3-(3-carbazol-9-ylphenyl)phenyl]-6-tritylcarbazole
CID 142391271

Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-9-[9-[3-(2,4,6-triphenylphenyl)phenyl]carbazol-4-yl]carbazole?
The IUPAC name of 3,6-ditert-butyl-9-[9-[3-(2,4,6-triphenylphenyl)phenyl]carbazol-4-yl]carbazole (CID 164733169) is 3,6-ditert-butyl-9-[9-[3-(2,4,6-triphenylphenyl)phenyl]carbazol-4-yl]carbazole.
What is the SMILES notation for 3,6-ditert-butyl-9-[9-[3-(2,4,6-triphenylphenyl)phenyl]carbazol-4-yl]carbazole?
The canonical SMILES for 3,6-ditert-butyl-9-[9-[3-(2,4,6-triphenylphenyl)phenyl]carbazol-4-yl]carbazole is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc2c1c1ccccc1n2-c1cccc(-c2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)c1.
What is the InChIKey of 3,6-ditert-butyl-9-[9-[3-(2,4,6-triphenylphenyl)phenyl]carbazol-4-yl]carbazole?
The InChIKey is VHTMVQXICVJITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H52N2/c1-61(2,3)46-32-34-55-52(39-46)53-40-47(62(4,5)6)33-35-56(53)64(55)58-31-19-30-57-60(58)49-28-16-17-29-54(49)63(57)48-27-18-26-44(36-48)59-50(42-22-12-8-13-23-42)37-45(41-20-10-7-11-21-41)38-51(59)43-24-14-9-15-25-43/h7-40H,1-6H3.
What are the key properties of 3,6-ditert-butyl-9-[9-[3-(2,4,6-triphenylphenyl)phenyl]carbazol-4-yl]carbazole?
3,6-ditert-butyl-9-[9-[3-(2,4,6-triphenylphenyl)phenyl]carbazol-4-yl]carbazole has a molecular weight of 825.11 g/mol, XLogP of 17.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-9-[9-[3-(2,4,6-triphenylphenyl)phenyl]carbazol-4-yl]carbazole is sourced from PubChem (CID 164733169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).