9-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]-6-carbazol-9-yl-1,3,5-triazin-2-yl]-3-phenylcarbazole

C48H38N6 — CID 170152580

IUPAC9-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]-6-carbazol-9-yl-1,3,5-triazin-2-yl]-3-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2nc(-c3cccc(N4C5CC6CC(C5)CC4C6)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C48H38N6/c1-2-11-32(12-3-1)33-21-22-45-41(29-33)40-17-6-9-20-44(40)54(45)48-50-46(34-13-10-14-35(28-34)52-36-24-30-23-31(26-36)27-37(52)25-30)49-47(51-48)53-42-18-7-4-15-38(42)39-16-5-8-19-43(39)53/h1-22,28-31,36-37H,23-27H2
InChIKeyKLZMNQSGRUINNE-UHFFFAOYSA-N
MW698.87 g/mol
LogP11.17
Rot. Bonds5

About 9-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]-6-carbazol-9-yl-1,3,5-triazin-2-yl]-3-phenylcarbazole

9-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]-6-carbazol-9-yl-1,3,5-triazin-2-yl]-3-phenylcarbazole (PubChem CID 170152580) has the molecular formula C48H38N6 and a molecular weight of 698.87 g/mol. Its IUPAC name is 9-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]-6-carbazol-9-yl-1,3,5-triazin-2-yl]-3-phenylcarbazole.

Molecular Properties

Compound Name9-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]-6-carbazol-9-yl-1,3,5-triazin-2-yl]-3-phenylcarbazole
PubChem CID170152580
Molecular FormulaC48H38N6
Molecular Weight698.87 g/mol
Exact Mass698.32
IUPAC Name9-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]-6-carbazol-9-yl-1,3,5-triazin-2-yl]-3-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2nc(-c3cccc(N4C5CC6CC(C5)CC4C6)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C48H38N6/c1-2-11-32(12-3-1)33-21-22-45-41(29-33)40-17-6-9-20-44(40)54(45)48-50-46(34-13-10-14-35(28-34)52-36-24-30-23-31(26-36)27-37(52)25-30)49-47(51-48)53-42-18-7-4-15-38(42)39-16-5-8-19-43(39)53/h1-22,28-31,36-37H,23-27H2
InChIKeyKLZMNQSGRUINNE-UHFFFAOYSA-N
XLogP11.17
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.87
LogP ≤ 511.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]-6-carbazol-9-yl-1,3,5-triazin-2-yl]-3-phenylcarbazole with MolForge

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Related Compounds

9-[4-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]-6-carbazol-9-yl-1,3,5-triazin-2-yl]-3-phenylcarbazole
CID 170152590
3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-9-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 170152600
3-(9-phenylcarbazol-3-yl)-9-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 134236821
3-phenyl-9-[4-[3-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 137401861
9-[2,6-bis(2-azatricyclo[3.3.1.13,7]decan-2-yl)pyrimidin-4-yl]-3-phenylcarbazole
CID 170152606
3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 134236514
3-[9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-9-[4-[3-[4-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazol-9-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 155257157
9-[4-carbazol-9-yl-6-[3-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742634
9-[3-[2-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3-phenylcarbazole
CID 171468732
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 58511626
3-phenyl-9-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 174243912
9-[4-[4-(3-carbazol-9-ylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 165051393

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]-6-carbazol-9-yl-1,3,5-triazin-2-yl]-3-phenylcarbazole?
The IUPAC name of 9-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]-6-carbazol-9-yl-1,3,5-triazin-2-yl]-3-phenylcarbazole (CID 170152580) is 9-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]-6-carbazol-9-yl-1,3,5-triazin-2-yl]-3-phenylcarbazole.
What is the SMILES notation for 9-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]-6-carbazol-9-yl-1,3,5-triazin-2-yl]-3-phenylcarbazole?
The canonical SMILES for 9-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]-6-carbazol-9-yl-1,3,5-triazin-2-yl]-3-phenylcarbazole is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2nc(-c3cccc(N4C5CC6CC(C5)CC4C6)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 9-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]-6-carbazol-9-yl-1,3,5-triazin-2-yl]-3-phenylcarbazole?
The InChIKey is KLZMNQSGRUINNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38N6/c1-2-11-32(12-3-1)33-21-22-45-41(29-33)40-17-6-9-20-44(40)54(45)48-50-46(34-13-10-14-35(28-34)52-36-24-30-23-31(26-36)27-37(52)25-30)49-47(51-48)53-42-18-7-4-15-38(42)39-16-5-8-19-43(39)53/h1-22,28-31,36-37H,23-27H2.
What are the key properties of 9-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]-6-carbazol-9-yl-1,3,5-triazin-2-yl]-3-phenylcarbazole?
9-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]-6-carbazol-9-yl-1,3,5-triazin-2-yl]-3-phenylcarbazole has a molecular weight of 698.87 g/mol, XLogP of 11.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]-6-carbazol-9-yl-1,3,5-triazin-2-yl]-3-phenylcarbazole is sourced from PubChem (CID 170152580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).