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

C147H123N9 — CID 158450509

IUPAC9-(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
SMILESCC(C)(C)c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)c1cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc1n2-c1ccccc1.Cc1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1
InChIInChI=1S/C58H59N3.C46H35N3.C43H29N3/c1-55(2,3)36-18-24-49-43(30-36)44-31-37(56(4,5)6)19-25-50(44)60(49)41-22-28-53-47(34-41)48-35-42(23-29-54(48)59(53)40-16-14-13-15-17-40)61-51-26-20-38(57(7,8)9)32-45(51)46-33-39(58(10,11)12)21-27-52(46)61;1-46(2,3)30-20-22-31(23-21-30)47-44-26-24-32(48-40-16-8-4-12-34(40)35-13-5-9-17-41(35)48)28-38(44)39-29-33(25-27-45(39)47)49-42-18-10-6-14-36(42)37-15-7-11-19-43(37)49;1-28-18-20-29(21-19-28)44-42-24-22-30(45-38-14-6-2-10-32(38)33-11-3-7-15-39(33)45)26-36(42)37-27-31(23-25-43(37)44)46-40-16-8-4-12-34(40)35-13-5-9-17-41(35)46/h13-35H,1-12H3;4-29H,1-3H3;2-27H,1H3
InChIKeyHDXQRMVBAAWYRQ-UHFFFAOYSA-N
MW2015.66 g/mol
LogP39.73
Rot. Bonds9

About 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

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 (PubChem CID 158450509) has the molecular formula C147H123N9 and a molecular weight of 2015.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-(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
PubChem CID158450509
Molecular FormulaC147H123N9
Molecular Weight2015.66 g/mol
Exact Mass2013.99
IUPAC Name9-(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
SMILESCC(C)(C)c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)c1cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc1n2-c1ccccc1.Cc1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1
InChIInChI=1S/C58H59N3.C46H35N3.C43H29N3/c1-55(2,3)36-18-24-49-43(30-36)44-31-37(56(4,5)6)19-25-50(44)60(49)41-22-28-53-47(34-41)48-35-42(23-29-54(48)59(53)40-16-14-13-15-17-40)61-51-26-20-38(57(7,8)9)32-45(51)46-33-39(58(10,11)12)21-27-52(46)61;1-46(2,3)30-20-22-31(23-21-30)47-44-26-24-32(48-40-16-8-4-12-34(40)35-13-5-9-17-41(35)48)28-38(44)39-29-33(25-27-45(39)47)49-42-18-10-6-14-36(42)37-15-7-11-19-43(37)49;1-28-18-20-29(21-19-28)44-42-24-22-30(45-38-14-6-2-10-32(38)33-11-3-7-15-39(33)45)26-36(42)37-27-31(23-25-43(37)44)46-40-16-8-4-12-34(40)35-13-5-9-17-41(35)46/h13-35H,1-12H3;4-29H,1-3H3;2-27H,1H3
InChIKeyHDXQRMVBAAWYRQ-UHFFFAOYSA-N
XLogP39.73
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms156
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002015.66
LogP ≤ 539.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314
2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121355698
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
9-phenyl-3-(3-tritylcarbazol-9-yl)carbazole
CID 164756650
3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole
CID 59399108
9-(4-tert-butylphenyl)-3,6-di(carbazol-9-yl)carbazole;3,6-di(carbazol-9-yl)-9-(3-methylphenyl)carbazole;3,6-di(carbazol-9-yl)-9-(3-phenylphenyl)carbazole
CID 161086909
9-[4-(4-tert-butylphenyl)phenyl]-2-(4-methylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170073064
9-[4-[2-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole
CID 58991829
5-[9-[3-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-7-phenylindolo[2,3-b]carbazole
CID 167260203
2-tert-butyl-9-carbazol-9-yl-5,12-diphenylindolo[3,2-c]carbazole
CID 58489622
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)c1cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc1n2-c1ccccc1.Cc1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.
What is the InChIKey of 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?
The InChIKey is HDXQRMVBAAWYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H59N3.C46H35N3.C43H29N3/c1-55(2,3)36-18-24-49-43(30-36)44-31-37(56(4,5)6)19-25-50(44)60(49)41-22-28-53-47(34-41)48-35-42(23-29-54(48)59(53)40-16-14-13-15-17-40)61-51-26-20-38(57(7,8)9)32-45(51)46-33-39(58(10,11)12)21-27-52(46)61;1-46(2,3)30-20-22-31(23-21-30)47-44-26-24-32(48-40-16-8-4-12-34(40)35-13-5-9-17-41(35)48)28-38(44)39-29-33(25-27-45(39)47)49-42-18-10-6-14-36(42)37-15-7-11-19-43(37)49;1-28-18-20-29(21-19-28)44-42-24-22-30(45-38-14-6-2-10-32(38)33-11-3-7-15-39(33)45)26-36(42)37-27-31(23-25-43(37)44)46-40-16-8-4-12-34(40)35-13-5-9-17-41(35)46/h13-35H,1-12H3;4-29H,1-3H3;2-27H,1H3.
What are the key properties of 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?
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 has a molecular weight of 2015.66 g/mol, XLogP of 39.73, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158450509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).