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

C137H95N9 — CID 161086909

IUPAC9-(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
SMILESCC(C)(C)c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.Cc1cccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.c1ccc(-c2cccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)cc1
InChIInChI=1S/C48H31N3.C46H35N3.C43H29N3/c1-2-13-32(14-3-1)33-15-12-16-34(29-33)49-47-27-25-35(50-43-21-8-4-17-37(43)38-18-5-9-22-44(38)50)30-41(47)42-31-36(26-28-48(42)49)51-45-23-10-6-19-39(45)40-20-7-11-24-46(40)51;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;1-28-11-10-12-29(25-28)44-42-23-21-30(45-38-17-6-2-13-32(38)33-14-3-7-18-39(33)45)26-36(42)37-27-31(22-24-43(37)44)46-40-19-8-4-15-34(40)35-16-5-9-20-41(35)46/h1-31H;4-29H,1-3H3;2-27H,1H3
InChIKeyUGQITRDVMRSETB-UHFFFAOYSA-N
MW1867.33 g/mol
LogP36.21
Rot. Bonds10

About 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

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 (PubChem CID 161086909) has the molecular formula C137H95N9 and a molecular weight of 1867.33 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-(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
PubChem CID161086909
Molecular FormulaC137H95N9
Molecular Weight1867.33 g/mol
Exact Mass1865.77
IUPAC Name9-(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
SMILESCC(C)(C)c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.Cc1cccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.c1ccc(-c2cccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)cc1
InChIInChI=1S/C48H31N3.C46H35N3.C43H29N3/c1-2-13-32(14-3-1)33-15-12-16-34(29-33)49-47-27-25-35(50-43-21-8-4-17-37(43)38-18-5-9-22-44(38)50)30-41(47)42-31-36(26-28-48(42)49)51-45-23-10-6-19-39(45)40-20-7-11-24-46(40)51;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;1-28-11-10-12-29(25-28)44-42-23-21-30(45-38-17-6-2-13-32(38)33-14-3-7-18-39(33)45)26-36(42)37-27-31(22-24-43(37)44)46-40-19-8-4-15-34(40)35-16-5-9-20-41(35)46/h1-31H;4-29H,1-3H3;2-27H,1H3
InChIKeyUGQITRDVMRSETB-UHFFFAOYSA-N
XLogP36.21
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms146
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001867.33
LogP ≤ 536.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

5-[9-[3-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-7-phenylindolo[2,3-b]carbazole
CID 167260203
3-[9-[3-[3-(4-tert-butylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 167259635
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole;9-[3-(4-methylphenyl)phenyl]carbazole;9-[4-(3-methylphenyl)phenyl]carbazole;9-[4-(4-methylphenyl)phenyl]carbazole
CID 158304172
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-[3-(4-methylphenyl)phenyl]carbazole;9-[4-(3-methylphenyl)phenyl]carbazole;9-[4-(4-methylphenyl)phenyl]carbazole
CID 160614579
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole
CID 162048953
3-carbazol-9-yl-9-[4-[4-(3-methylphenyl)phenyl]phenyl]carbazole
CID 170198467
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
11-(9-phenylcarbazol-3-yl)-5-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 134168734
3-carbazol-9-yl-9-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]carbazole;3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]carbazole;3-carbazol-9-yl-9-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 158665027
9-[4-(4-tert-butylphenyl)phenyl]-2-(4-methylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170073064
5-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 167259633
2-carbazol-9-yl-5-phenyl-7-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 134194417

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.Cc1cccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.c1ccc(-c2cccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)cc1.
What is the InChIKey of 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?
The InChIKey is UGQITRDVMRSETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3.C46H35N3.C43H29N3/c1-2-13-32(14-3-1)33-15-12-16-34(29-33)49-47-27-25-35(50-43-21-8-4-17-37(43)38-18-5-9-22-44(38)50)30-41(47)42-31-36(26-28-48(42)49)51-45-23-10-6-19-39(45)40-20-7-11-24-46(40)51;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;1-28-11-10-12-29(25-28)44-42-23-21-30(45-38-17-6-2-13-32(38)33-14-3-7-18-39(33)45)26-36(42)37-27-31(22-24-43(37)44)46-40-19-8-4-15-34(40)35-16-5-9-20-41(35)46/h1-31H;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-di(carbazol-9-yl)-9-(3-methylphenyl)carbazole;3,6-di(carbazol-9-yl)-9-(3-phenylphenyl)carbazole?
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 has a molecular weight of 1867.33 g/mol, XLogP of 36.21, 10 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-di(carbazol-9-yl)-9-(3-methylphenyl)carbazole;3,6-di(carbazol-9-yl)-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 161086909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).