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

C38H30N8 — CID 155551077

IUPAC9-[[1-[[4-[[4-(carbazol-9-ylmethyl)triazol-1-yl]methyl]phenyl]methyl]triazol-4-yl]methyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2Cc1cn(Cc2ccc(Cn3cc(Cn4c5ccccc5c5ccccc54)nn3)cc2)nn1
InChIInChI=1S/C38H30N8/c1-5-13-35-31(9-1)32-10-2-6-14-36(32)45(35)25-29-23-43(41-39-29)21-27-17-19-28(20-18-27)22-44-24-30(40-42-44)26-46-37-15-7-3-11-33(37)34-12-4-8-16-38(34)46/h1-20,23-24H,21-22,25-26H2
InChIKeyUUMSFUNMAHZFSC-UHFFFAOYSA-N
MW598.71 g/mol
LogP7.28
Rot. Bonds8

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

9-[[1-[[4-[[4-(carbazol-9-ylmethyl)triazol-1-yl]methyl]phenyl]methyl]triazol-4-yl]methyl]carbazole (PubChem CID 155551077) has the molecular formula C38H30N8 and a molecular weight of 598.71 g/mol. Its IUPAC name is 9-[[1-[[4-[[4-(carbazol-9-ylmethyl)triazol-1-yl]methyl]phenyl]methyl]triazol-4-yl]methyl]carbazole.

Molecular Properties

Compound Name9-[[1-[[4-[[4-(carbazol-9-ylmethyl)triazol-1-yl]methyl]phenyl]methyl]triazol-4-yl]methyl]carbazole
PubChem CID155551077
Molecular FormulaC38H30N8
Molecular Weight598.71 g/mol
Exact Mass598.26
IUPAC Name9-[[1-[[4-[[4-(carbazol-9-ylmethyl)triazol-1-yl]methyl]phenyl]methyl]triazol-4-yl]methyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2Cc1cn(Cc2ccc(Cn3cc(Cn4c5ccccc5c5ccccc54)nn3)cc2)nn1
InChIInChI=1S/C38H30N8/c1-5-13-35-31(9-1)32-10-2-6-14-36(32)45(35)25-29-23-43(41-39-29)21-27-17-19-28(20-18-27)22-44-24-30(40-42-44)26-46-37-15-7-3-11-33(37)34-12-4-8-16-38(34)46/h1-20,23-24H,21-22,25-26H2
InChIKeyUUMSFUNMAHZFSC-UHFFFAOYSA-N
XLogP7.28
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.71
LogP ≤ 57.28
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-(carbazol-9-ylmethyl)triazol-1-yl]methyl]phenyl]methyl]triazol-4-yl]methyl]carbazole?
The IUPAC name of 9-[[1-[[4-[[4-(carbazol-9-ylmethyl)triazol-1-yl]methyl]phenyl]methyl]triazol-4-yl]methyl]carbazole (CID 155551077) is 9-[[1-[[4-[[4-(carbazol-9-ylmethyl)triazol-1-yl]methyl]phenyl]methyl]triazol-4-yl]methyl]carbazole.
What is the SMILES notation for 9-[[1-[[4-[[4-(carbazol-9-ylmethyl)triazol-1-yl]methyl]phenyl]methyl]triazol-4-yl]methyl]carbazole?
The canonical SMILES for 9-[[1-[[4-[[4-(carbazol-9-ylmethyl)triazol-1-yl]methyl]phenyl]methyl]triazol-4-yl]methyl]carbazole is c1ccc2c(c1)c1ccccc1n2Cc1cn(Cc2ccc(Cn3cc(Cn4c5ccccc5c5ccccc54)nn3)cc2)nn1.
What is the InChIKey of 9-[[1-[[4-[[4-(carbazol-9-ylmethyl)triazol-1-yl]methyl]phenyl]methyl]triazol-4-yl]methyl]carbazole?
The InChIKey is UUMSFUNMAHZFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30N8/c1-5-13-35-31(9-1)32-10-2-6-14-36(32)45(35)25-29-23-43(41-39-29)21-27-17-19-28(20-18-27)22-44-24-30(40-42-44)26-46-37-15-7-3-11-33(37)34-12-4-8-16-38(34)46/h1-20,23-24H,21-22,25-26H2.
What are the key properties of 9-[[1-[[4-[[4-(carbazol-9-ylmethyl)triazol-1-yl]methyl]phenyl]methyl]triazol-4-yl]methyl]carbazole?
9-[[1-[[4-[[4-(carbazol-9-ylmethyl)triazol-1-yl]methyl]phenyl]methyl]triazol-4-yl]methyl]carbazole has a molecular weight of 598.71 g/mol, XLogP of 7.28, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[1-[[4-[[4-(carbazol-9-ylmethyl)triazol-1-yl]methyl]phenyl]methyl]triazol-4-yl]methyl]carbazole is sourced from PubChem (CID 155551077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).