3-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-carbazol-9-ylcarbazole;[4-[3-(9-carbazol-9-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-trimethylsilane;2-(9-carbazol-9-ylcarbazol-2-yl)-9-phenylcarbazole

C133H97N9Si — CID 162075341

IUPAC3-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-carbazol-9-ylcarbazole;[4-[3-(9-carbazol-9-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-trimethylsilane;2-(9-carbazol-9-ylcarbazol-2-yl)-9-phenylcarbazole
SMILESCC(C)(C)c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-n4c5ccccc5c5ccccc54)ccc32)cc1.C[Si](C)(C)c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-n4c5ccccc5c5ccccc54)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-n6c7ccccc7c7ccccc76)c5c4)cc32)cc1
InChIInChI=1S/C46H35N3.C45H35N3Si.C42H27N3/c1-46(2,3)32-22-24-33(25-23-32)47-40-16-8-4-14-36(40)38-28-30(20-26-41(38)47)31-21-27-45-39(29-31)37-15-7-11-19-44(37)49(45)48-42-17-9-5-12-34(42)35-13-6-10-18-43(35)48;1-49(2,3)33-24-22-32(23-25-33)46-40-16-8-4-14-36(40)38-28-30(20-26-41(38)46)31-21-27-45-39(29-31)37-15-7-11-19-44(37)48(45)47-42-17-9-5-12-34(42)35-13-6-10-18-43(35)47;1-2-12-30(13-3-1)43-37-18-8-4-14-31(37)35-24-22-28(26-41(35)43)29-23-25-36-34-17-7-11-21-40(34)45(42(36)27-29)44-38-19-9-5-15-32(38)33-16-6-10-20-39(33)44/h2*4-29H,1-3H3;1-27H
InChIKeyZBQARZBEPZQEGH-UHFFFAOYSA-N
MW1849.39 g/mol
LogP34.78
Rot. Bonds10

About 3-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-carbazol-9-ylcarbazole;[4-[3-(9-carbazol-9-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-trimethylsilane;2-(9-carbazol-9-ylcarbazol-2-yl)-9-phenylcarbazole

3-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-carbazol-9-ylcarbazole;[4-[3-(9-carbazol-9-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-trimethylsilane;2-(9-carbazol-9-ylcarbazol-2-yl)-9-phenylcarbazole (PubChem CID 162075341) has the molecular formula C133H97N9Si and a molecular weight of 1849.39 g/mol. Its IUPAC name is 3-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-carbazol-9-ylcarbazole;[4-[3-(9-carbazol-9-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-trimethylsilane;2-(9-carbazol-9-ylcarbazol-2-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-carbazol-9-ylcarbazole;[4-[3-(9-carbazol-9-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-trimethylsilane;2-(9-carbazol-9-ylcarbazol-2-yl)-9-phenylcarbazole
PubChem CID162075341
Molecular FormulaC133H97N9Si
Molecular Weight1849.39 g/mol
Exact Mass1847.76
IUPAC Name3-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-carbazol-9-ylcarbazole;[4-[3-(9-carbazol-9-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-trimethylsilane;2-(9-carbazol-9-ylcarbazol-2-yl)-9-phenylcarbazole
SMILESCC(C)(C)c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-n4c5ccccc5c5ccccc54)ccc32)cc1.C[Si](C)(C)c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-n4c5ccccc5c5ccccc54)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-n6c7ccccc7c7ccccc76)c5c4)cc32)cc1
InChIInChI=1S/C46H35N3.C45H35N3Si.C42H27N3/c1-46(2,3)32-22-24-33(25-23-32)47-40-16-8-4-14-36(40)38-28-30(20-26-41(38)47)31-21-27-45-39(29-31)37-15-7-11-19-44(37)49(45)48-42-17-9-5-12-34(42)35-13-6-10-18-43(35)48;1-49(2,3)33-24-22-32(23-25-33)46-40-16-8-4-14-36(40)38-28-30(20-26-41(38)46)31-21-27-45-39(29-31)37-15-7-11-19-44(37)48(45)47-42-17-9-5-12-34(42)35-13-6-10-18-43(35)47;1-2-12-30(13-3-1)43-37-18-8-4-14-31(37)35-24-22-28(26-41(35)43)29-23-25-36-34-17-7-11-21-40(34)45(42(36)27-29)44-38-19-9-5-15-32(38)33-16-6-10-20-39(33)44/h2*4-29H,1-3H3;1-27H
InChIKeyZBQARZBEPZQEGH-UHFFFAOYSA-N
XLogP34.78
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms143
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001849.39
LogP ≤ 534.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 3-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-carbazol-9-ylcarbazole;[4-[3-(9-carbazol-9-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-trimethylsilane;2-(9-carbazol-9-ylcarbazol-2-yl)-9-phenylcarbazole with MolForge

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Related Compounds

trimethyl-[9-(9-phenylcarbazol-3-yl)-7-(9-phenyl-6-trimethylsilylcarbazol-3-yl)carbazol-3-yl]silane
CID 123575864
trimethyl-[9-(9-phenylcarbazol-2-yl)-6-(9-phenyl-6-trimethylsilylcarbazol-3-yl)carbazol-3-yl]silane
CID 123744024
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-[4-(4-tert-butylphenyl)phenyl]-2-(4-methylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170073064
3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
CID 137420846
6-tert-butyl-2-(6-tert-butyl-9-phenylcarbazol-2-yl)-9-(9-phenylcarbazol-2-yl)carbazole;6-methoxy-2-(6-methoxy-9-phenylcarbazol-2-yl)-9-(9-phenylcarbazol-2-yl)carbazole;6-methoxy-2-(6-methoxy-9-phenylcarbazol-2-yl)-9-(9-phenylcarbazol-3-yl)carbazole;trimethyl-[9-(9-phenylcarbazol-3-yl)-7-(9-phenyl-6-trimethylsilylcarbazol-2-yl)carbazol-3-yl]silane
CID 160686392
9-(3-tert-butylphenyl)-2-[9-(4-tert-butylphenyl)carbazol-2-yl]carbazole
CID 126685172
3-(9-phenylcarbazol-3-yl)-9-[4-[2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]propan-2-yl]phenyl]carbazole
CID 176617175
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811
2,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 166037407

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-carbazol-9-ylcarbazole;[4-[3-(9-carbazol-9-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-trimethylsilane;2-(9-carbazol-9-ylcarbazol-2-yl)-9-phenylcarbazole?
The IUPAC name of 3-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-carbazol-9-ylcarbazole;[4-[3-(9-carbazol-9-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-trimethylsilane;2-(9-carbazol-9-ylcarbazol-2-yl)-9-phenylcarbazole (CID 162075341) is 3-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-carbazol-9-ylcarbazole;[4-[3-(9-carbazol-9-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-trimethylsilane;2-(9-carbazol-9-ylcarbazol-2-yl)-9-phenylcarbazole.
What is the SMILES notation for 3-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-carbazol-9-ylcarbazole;[4-[3-(9-carbazol-9-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-trimethylsilane;2-(9-carbazol-9-ylcarbazol-2-yl)-9-phenylcarbazole?
The canonical SMILES for 3-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-carbazol-9-ylcarbazole;[4-[3-(9-carbazol-9-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-trimethylsilane;2-(9-carbazol-9-ylcarbazol-2-yl)-9-phenylcarbazole is CC(C)(C)c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-n4c5ccccc5c5ccccc54)ccc32)cc1.C[Si](C)(C)c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-n4c5ccccc5c5ccccc54)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-n6c7ccccc7c7ccccc76)c5c4)cc32)cc1.
What is the InChIKey of 3-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-carbazol-9-ylcarbazole;[4-[3-(9-carbazol-9-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-trimethylsilane;2-(9-carbazol-9-ylcarbazol-2-yl)-9-phenylcarbazole?
The InChIKey is ZBQARZBEPZQEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35N3.C45H35N3Si.C42H27N3/c1-46(2,3)32-22-24-33(25-23-32)47-40-16-8-4-14-36(40)38-28-30(20-26-41(38)47)31-21-27-45-39(29-31)37-15-7-11-19-44(37)49(45)48-42-17-9-5-12-34(42)35-13-6-10-18-43(35)48;1-49(2,3)33-24-22-32(23-25-33)46-40-16-8-4-14-36(40)38-28-30(20-26-41(38)46)31-21-27-45-39(29-31)37-15-7-11-19-44(37)48(45)47-42-17-9-5-12-34(42)35-13-6-10-18-43(35)47;1-2-12-30(13-3-1)43-37-18-8-4-14-31(37)35-24-22-28(26-41(35)43)29-23-25-36-34-17-7-11-21-40(34)45(42(36)27-29)44-38-19-9-5-15-32(38)33-16-6-10-20-39(33)44/h2*4-29H,1-3H3;1-27H.
What are the key properties of 3-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-carbazol-9-ylcarbazole;[4-[3-(9-carbazol-9-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-trimethylsilane;2-(9-carbazol-9-ylcarbazol-2-yl)-9-phenylcarbazole?
3-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-carbazol-9-ylcarbazole;[4-[3-(9-carbazol-9-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-trimethylsilane;2-(9-carbazol-9-ylcarbazol-2-yl)-9-phenylcarbazole has a molecular weight of 1849.39 g/mol, XLogP of 34.78, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-carbazol-9-ylcarbazole;[4-[3-(9-carbazol-9-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-trimethylsilane;2-(9-carbazol-9-ylcarbazol-2-yl)-9-phenylcarbazole is sourced from PubChem (CID 162075341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).