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

C48H38N6 — CID 170152590

IUPAC9-[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
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2nc(-c3ccc(N4C5CC6CC(C5)CC4C6)cc3)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C48H38N6/c1-2-10-32(11-3-1)34-20-23-45-41(29-34)40-14-6-9-17-44(40)54(45)48-50-46(33-18-21-35(22-19-33)52-36-25-30-24-31(27-36)28-37(52)26-30)49-47(51-48)53-42-15-7-4-12-38(42)39-13-5-8-16-43(39)53/h1-23,29-31,36-37H,24-28H2
InChIKeyXKMIWOUSNGPJJE-UHFFFAOYSA-N
MW698.87 g/mol
LogP11.17
Rot. Bonds5

About 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

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 (PubChem CID 170152590) has the molecular formula C48H38N6 and a molecular weight of 698.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID170152590
Molecular FormulaC48H38N6
Molecular Weight698.87 g/mol
Exact Mass698.32
IUPAC Name9-[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
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2nc(-c3ccc(N4C5CC6CC(C5)CC4C6)cc3)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C48H38N6/c1-2-10-32(11-3-1)34-20-23-45-41(29-34)40-14-6-9-17-44(40)54(45)48-50-46(33-18-21-35(22-19-33)52-36-25-30-24-31(27-36)28-37(52)26-30)49-47(51-48)53-42-15-7-4-12-38(42)39-13-5-8-16-43(39)53/h1-23,29-31,36-37H,24-28H2
InChIKeyXKMIWOUSNGPJJE-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-[4-(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-[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
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
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(3-phenylcarbazol-9-yl)carbazole
CID 58556490
9-[2,6-bis(2-azatricyclo[3.3.1.13,7]decan-2-yl)pyrimidin-4-yl]-3-phenylcarbazole
CID 170152606
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 162483719
9-[4-carbazol-9-yl-6-[4-(3-methyl-2-azabicyclo[4.1.0]hept-5-en-2-yl)phenyl]-1,3,5-triazin-2-yl]-3-phenylcarbazole
CID 170152770
3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 146573156
3-[4-(1-adamantyl)phenyl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171574335
3,6-di(carbazol-9-yl)-9-[6-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole
CID 88878795
3-carbazol-9-yl-9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 146572883
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole
CID 70934602
9-[4-carbazol-9-yl-6-[4-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742666

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2nc(-c3ccc(N4C5CC6CC(C5)CC4C6)cc3)nc(-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 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?
The InChIKey is XKMIWOUSNGPJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38N6/c1-2-10-32(11-3-1)34-20-23-45-41(29-34)40-14-6-9-17-44(40)54(45)48-50-46(33-18-21-35(22-19-33)52-36-25-30-24-31(27-36)28-37(52)26-30)49-47(51-48)53-42-15-7-4-12-38(42)39-13-5-8-16-43(39)53/h1-23,29-31,36-37H,24-28H2.
What are the key properties of 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?
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 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-[4-(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 170152590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).