3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole

C46H35N3 — CID 59399314

IUPAC3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
SMILESCC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1ccccc1
InChIInChI=1S/C46H35N3/c1-46(2,3)30-21-24-43-37(27-30)36-17-9-12-20-42(36)49(43)33-23-26-45-39(29-33)38-28-32(22-25-44(38)47(45)31-13-5-4-6-14-31)48-40-18-10-7-15-34(40)35-16-8-11-19-41(35)48/h4-29H,1-3H3
InChIKeyRNOFKUAEGBMAGD-UHFFFAOYSA-N
MW629.81 g/mol
LogP12.28
Rot. Bonds3

About 3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole

3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole (PubChem CID 59399314) has the molecular formula C46H35N3 and a molecular weight of 629.81 g/mol. Its IUPAC name is 3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole.

Molecular Properties

Compound Name3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
PubChem CID59399314
Molecular FormulaC46H35N3
Molecular Weight629.81 g/mol
Exact Mass629.28
IUPAC Name3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
SMILESCC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1ccccc1
InChIInChI=1S/C46H35N3/c1-46(2,3)30-21-24-43-37(27-30)36-17-9-12-20-42(36)49(43)33-23-26-45-39(29-33)38-28-32(22-25-44(38)47(45)31-13-5-4-6-14-31)48-40-18-10-7-15-34(40)35-16-8-11-19-41(35)48/h4-29H,1-3H3
InChIKeyRNOFKUAEGBMAGD-UHFFFAOYSA-N
XLogP12.28
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.81
LogP ≤ 512.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121355698
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
9-phenyl-3-(3-tritylcarbazol-9-yl)carbazole
CID 164756650
3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole
CID 59399108
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-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
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169
3,6-ditert-butyl-9-[9-[4-[4-[3-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]sulfonylphenyl]carbazol-3-yl]carbazole
CID 118033417
3-[3-[9-[9-[3,5-bis(2,2-dimethylpropyl)phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazol-3-yl]carbazol-9-yl]-6-(3-tert-butylcarbazol-9-yl)-9-phenylcarbazole
CID 126723707
9-tert-butylcarbazole;2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;9-(3-tert-butylphenyl)carbazole
CID 160742117

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole?
The IUPAC name of 3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole (CID 59399314) is 3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole.
What is the SMILES notation for 3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole?
The canonical SMILES for 3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole is CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1ccccc1.
What is the InChIKey of 3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole?
The InChIKey is RNOFKUAEGBMAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35N3/c1-46(2,3)30-21-24-43-37(27-30)36-17-9-12-20-42(36)49(43)33-23-26-45-39(29-33)38-28-32(22-25-44(38)47(45)31-13-5-4-6-14-31)48-40-18-10-7-15-34(40)35-16-8-11-19-41(35)48/h4-29H,1-3H3.
What are the key properties of 3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole?
3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole has a molecular weight of 629.81 g/mol, XLogP of 12.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole is sourced from PubChem (CID 59399314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).