3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole

C45H29N5 — CID 90051097

IUPAC3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)n2)cc1
InChIInChI=1S/C45H29N5/c1-3-13-30(14-4-1)43-46-44(31-15-5-2-6-16-31)48-45(47-43)32-23-25-33(26-24-32)49-41-22-12-9-19-37(41)38-29-34(27-28-42(38)49)50-39-20-10-7-17-35(39)36-18-8-11-21-40(36)50/h1-29H
InChIKeyJIAKEIXPVGWMHZ-UHFFFAOYSA-N
MW639.76 g/mol
LogP11.07
Rot. Bonds5

About 3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole

3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 90051097) has the molecular formula C45H29N5 and a molecular weight of 639.76 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
PubChem CID90051097
Molecular FormulaC45H29N5
Molecular Weight639.76 g/mol
Exact Mass639.24
IUPAC Name3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)n2)cc1
InChIInChI=1S/C45H29N5/c1-3-13-30(14-4-1)43-46-44(31-15-5-2-6-16-31)48-45(47-43)32-23-25-33(26-24-32)49-41-22-12-9-19-37(41)38-29-34(27-28-42(38)49)50-39-20-10-7-17-35(39)36-18-8-11-21-40(36)50/h1-29H
InChIKeyJIAKEIXPVGWMHZ-UHFFFAOYSA-N
XLogP11.07
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.76
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The IUPAC name of 3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (CID 90051097) is 3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)n2)cc1.
What is the InChIKey of 3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The InChIKey is JIAKEIXPVGWMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N5/c1-3-13-30(14-4-1)43-46-44(31-15-5-2-6-16-31)48-45(47-43)32-23-25-33(26-24-32)49-41-22-12-9-19-37(41)38-29-34(27-28-42(38)49)50-39-20-10-7-17-35(39)36-18-8-11-21-40(36)50/h1-29H.
What are the key properties of 3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole has a molecular weight of 639.76 g/mol, XLogP of 11.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 90051097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).