9-[[1-[[4-[4-[[4-(carbazol-9-ylmethyl)triazol-1-yl]methyl]phenyl]phenyl]methyl]triazol-4-yl]methyl]carbazole

C44H34N8 — CID 155544405

IUPAC9-[[1-[[4-[4-[[4-(carbazol-9-ylmethyl)triazol-1-yl]methyl]phenyl]phenyl]methyl]triazol-4-yl]methyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2Cc1cn(Cc2ccc(-c3ccc(Cn4cc(Cn5c6ccccc6c6ccccc65)nn4)cc3)cc2)nn1
InChIInChI=1S/C44H34N8/c1-5-13-41-37(9-1)38-10-2-6-14-42(38)51(41)29-35-27-49(47-45-35)25-31-17-21-33(22-18-31)34-23-19-32(20-24-34)26-50-28-36(46-48-50)30-52-43-15-7-3-11-39(43)40-12-4-8-16-44(40)52/h1-24,27-28H,25-26,29-30H2
InChIKeyKXXNKPZRKXDCIL-UHFFFAOYSA-N
MW674.81 g/mol
LogP8.95
Rot. Bonds9

About 9-[[1-[[4-[4-[[4-(carbazol-9-ylmethyl)triazol-1-yl]methyl]phenyl]phenyl]methyl]triazol-4-yl]methyl]carbazole

9-[[1-[[4-[4-[[4-(carbazol-9-ylmethyl)triazol-1-yl]methyl]phenyl]phenyl]methyl]triazol-4-yl]methyl]carbazole (PubChem CID 155544405) has the molecular formula C44H34N8 and a molecular weight of 674.81 g/mol. Its IUPAC name is 9-[[1-[[4-[4-[[4-(carbazol-9-ylmethyl)triazol-1-yl]methyl]phenyl]phenyl]methyl]triazol-4-yl]methyl]carbazole.

Molecular Properties

Compound Name9-[[1-[[4-[4-[[4-(carbazol-9-ylmethyl)triazol-1-yl]methyl]phenyl]phenyl]methyl]triazol-4-yl]methyl]carbazole
PubChem CID155544405
Molecular FormulaC44H34N8
Molecular Weight674.81 g/mol
Exact Mass674.29
IUPAC Name9-[[1-[[4-[4-[[4-(carbazol-9-ylmethyl)triazol-1-yl]methyl]phenyl]phenyl]methyl]triazol-4-yl]methyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2Cc1cn(Cc2ccc(-c3ccc(Cn4cc(Cn5c6ccccc6c6ccccc65)nn4)cc3)cc2)nn1
InChIInChI=1S/C44H34N8/c1-5-13-41-37(9-1)38-10-2-6-14-42(38)51(41)29-35-27-49(47-45-35)25-31-17-21-33(22-18-31)34-23-19-32(20-24-34)26-50-28-36(46-48-50)30-52-43-15-7-3-11-39(43)40-12-4-8-16-44(40)52/h1-24,27-28H,25-26,29-30H2
InChIKeyKXXNKPZRKXDCIL-UHFFFAOYSA-N
XLogP8.95
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.81
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 9-[[1-[[4-[4-[[4-(carbazol-9-ylmethyl)triazol-1-yl]methyl]phenyl]phenyl]methyl]triazol-4-yl]methyl]carbazole?
The IUPAC name of 9-[[1-[[4-[4-[[4-(carbazol-9-ylmethyl)triazol-1-yl]methyl]phenyl]phenyl]methyl]triazol-4-yl]methyl]carbazole (CID 155544405) is 9-[[1-[[4-[4-[[4-(carbazol-9-ylmethyl)triazol-1-yl]methyl]phenyl]phenyl]methyl]triazol-4-yl]methyl]carbazole.
What is the SMILES notation for 9-[[1-[[4-[4-[[4-(carbazol-9-ylmethyl)triazol-1-yl]methyl]phenyl]phenyl]methyl]triazol-4-yl]methyl]carbazole?
The canonical SMILES for 9-[[1-[[4-[4-[[4-(carbazol-9-ylmethyl)triazol-1-yl]methyl]phenyl]phenyl]methyl]triazol-4-yl]methyl]carbazole is c1ccc2c(c1)c1ccccc1n2Cc1cn(Cc2ccc(-c3ccc(Cn4cc(Cn5c6ccccc6c6ccccc65)nn4)cc3)cc2)nn1.
What is the InChIKey of 9-[[1-[[4-[4-[[4-(carbazol-9-ylmethyl)triazol-1-yl]methyl]phenyl]phenyl]methyl]triazol-4-yl]methyl]carbazole?
The InChIKey is KXXNKPZRKXDCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34N8/c1-5-13-41-37(9-1)38-10-2-6-14-42(38)51(41)29-35-27-49(47-45-35)25-31-17-21-33(22-18-31)34-23-19-32(20-24-34)26-50-28-36(46-48-50)30-52-43-15-7-3-11-39(43)40-12-4-8-16-44(40)52/h1-24,27-28H,25-26,29-30H2.
What are the key properties of 9-[[1-[[4-[4-[[4-(carbazol-9-ylmethyl)triazol-1-yl]methyl]phenyl]phenyl]methyl]triazol-4-yl]methyl]carbazole?
9-[[1-[[4-[4-[[4-(carbazol-9-ylmethyl)triazol-1-yl]methyl]phenyl]phenyl]methyl]triazol-4-yl]methyl]carbazole has a molecular weight of 674.81 g/mol, XLogP of 8.95, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[1-[[4-[4-[[4-(carbazol-9-ylmethyl)triazol-1-yl]methyl]phenyl]phenyl]methyl]triazol-4-yl]methyl]carbazole is sourced from PubChem (CID 155544405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).