2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole

C70H66N4 — CID 121355698

IUPAC2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3n(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2c1
InChIInChI=1S/C70H66N4/c1-67(2,3)43-22-31-60-54(36-43)55-37-44(68(4,5)6)23-32-61(55)72(60)49-26-29-52-53-30-27-50(73-62-33-24-45(69(7,8)9)38-56(62)57-39-46(70(10,11)12)25-34-63(57)73)42-66(53)74(65(52)41-49)48-28-35-64-58(40-48)51-20-16-17-21-59(51)71(64)47-18-14-13-15-19-47/h13-42H,1-12H3
InChIKeyQSLUEZLVVZVYTR-UHFFFAOYSA-N
MW963.33 g/mol
LogP19.26
Rot. Bonds4

About 2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole

2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole (PubChem CID 121355698) has the molecular formula C70H66N4 and a molecular weight of 963.33 g/mol. Its IUPAC name is 2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
PubChem CID121355698
Molecular FormulaC70H66N4
Molecular Weight963.33 g/mol
Exact Mass962.53
IUPAC Name2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3n(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2c1
InChIInChI=1S/C70H66N4/c1-67(2,3)43-22-31-60-54(36-43)55-37-44(68(4,5)6)23-32-61(55)72(60)49-26-29-52-53-30-27-50(73-62-33-24-45(69(7,8)9)38-56(62)57-39-46(70(10,11)12)25-34-63(57)73)42-66(53)74(65(52)41-49)48-28-35-64-58(40-48)51-20-16-17-21-59(51)71(64)47-18-14-13-15-19-47/h13-42H,1-12H3
InChIKeyQSLUEZLVVZVYTR-UHFFFAOYSA-N
XLogP19.26
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500963.33
LogP ≤ 519.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314
2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-(9-phenylcarbazol-3-yl)carbazole;9-(4-tert-butylphenyl)-3-carbazol-9-ylcarbazole;3-tert-butyl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 159742903
2-(3-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121274440
9-(4-tert-butylphenyl)-3,6-di(carbazol-9-yl)carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-phenylcarbazol-3-yl]carbazole;3,6-di(carbazol-9-yl)-9-(4-methylphenyl)carbazole
CID 158450509
2-tert-butyl-9-carbazol-9-yl-5,12-diphenylindolo[3,2-c]carbazole
CID 58489622
6,20-bis(3,6-ditert-butylcarbazol-9-yl)-10,16-diphenyl-10,16-diazahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
CID 146666361
9-phenyl-3-(3-tritylcarbazol-9-yl)carbazole
CID 164756650
3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole
CID 59399108
9-tert-butylcarbazole;2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;9-(3-tert-butylphenyl)carbazole
CID 160742117
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
2-carbazol-9-yl-9-phenylcarbazole
CID 118335086
2-tert-butyl-9-(4-phenylphenyl)carbazole
CID 122692449

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of 2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole (CID 121355698) is 2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for 2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3n(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2c1.
What is the InChIKey of 2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is QSLUEZLVVZVYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H66N4/c1-67(2,3)43-22-31-60-54(36-43)55-37-44(68(4,5)6)23-32-61(55)72(60)49-26-29-52-53-30-27-50(73-62-33-24-45(69(7,8)9)38-56(62)57-39-46(70(10,11)12)25-34-63(57)73)42-66(53)74(65(52)41-49)48-28-35-64-58(40-48)51-20-16-17-21-59(51)71(64)47-18-14-13-15-19-47/h13-42H,1-12H3.
What are the key properties of 2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole?
2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 963.33 g/mol, XLogP of 19.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 121355698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).