5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-8,9,10,11-tetrahydroindolo[2,3-b]carbazole

C45H33N5 — CID 90055724

IUPAC5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-8,9,10,11-tetrahydroindolo[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6c7c(n(-c8ccccc8)c6cc54)CCCC7)c3)n2)cc1
InChIInChI=1S/C45H33N5/c1-4-15-30(16-5-1)43-46-44(31-17-6-2-7-18-31)48-45(47-43)32-19-14-22-34(27-32)50-40-26-13-11-24-36(40)38-28-37-35-23-10-12-25-39(35)49(41(37)29-42(38)50)33-20-8-3-9-21-33/h1-9,11,13-22,24,26-29H,10,12,23,25H2
InChIKeyPYECNZUKCLVQTH-UHFFFAOYSA-N
MW643.79 g/mol
LogP10.79
Rot. Bonds5

About 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-8,9,10,11-tetrahydroindolo[2,3-b]carbazole

5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-8,9,10,11-tetrahydroindolo[2,3-b]carbazole (PubChem CID 90055724) has the molecular formula C45H33N5 and a molecular weight of 643.79 g/mol. Its IUPAC name is 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-8,9,10,11-tetrahydroindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-8,9,10,11-tetrahydroindolo[2,3-b]carbazole
PubChem CID90055724
Molecular FormulaC45H33N5
Molecular Weight643.79 g/mol
Exact Mass643.27
IUPAC Name5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-8,9,10,11-tetrahydroindolo[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6c7c(n(-c8ccccc8)c6cc54)CCCC7)c3)n2)cc1
InChIInChI=1S/C45H33N5/c1-4-15-30(16-5-1)43-46-44(31-17-6-2-7-18-31)48-45(47-43)32-19-14-22-34(27-32)50-40-26-13-11-24-36(40)38-28-37-35-23-10-12-25-39(35)49(41(37)29-42(38)50)33-20-8-3-9-21-33/h1-9,11,13-22,24,26-29H,10,12,23,25H2
InChIKeyPYECNZUKCLVQTH-UHFFFAOYSA-N
XLogP10.79
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.79
LogP ≤ 510.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 169014900
5-[4-[4-(3-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 162362546
5-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 126580236
5-[3-[4-(3-isocyanophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 166591978
3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 158317836
3-(3-carbazol-9-ylphenyl)-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 58943700
11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 121385500
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-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole
CID 90211376
5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 118508799
5-[3-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 139342074
2,7-di(carbazol-9-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 146179701

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-8,9,10,11-tetrahydroindolo[2,3-b]carbazole?
The IUPAC name of 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-8,9,10,11-tetrahydroindolo[2,3-b]carbazole (CID 90055724) is 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-8,9,10,11-tetrahydroindolo[2,3-b]carbazole.
What is the SMILES notation for 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-8,9,10,11-tetrahydroindolo[2,3-b]carbazole?
The canonical SMILES for 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-8,9,10,11-tetrahydroindolo[2,3-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6c7c(n(-c8ccccc8)c6cc54)CCCC7)c3)n2)cc1.
What is the InChIKey of 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-8,9,10,11-tetrahydroindolo[2,3-b]carbazole?
The InChIKey is PYECNZUKCLVQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33N5/c1-4-15-30(16-5-1)43-46-44(31-17-6-2-7-18-31)48-45(47-43)32-19-14-22-34(27-32)50-40-26-13-11-24-36(40)38-28-37-35-23-10-12-25-39(35)49(41(37)29-42(38)50)33-20-8-3-9-21-33/h1-9,11,13-22,24,26-29H,10,12,23,25H2.
What are the key properties of 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-8,9,10,11-tetrahydroindolo[2,3-b]carbazole?
5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-8,9,10,11-tetrahydroindolo[2,3-b]carbazole has a molecular weight of 643.79 g/mol, XLogP of 10.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-8,9,10,11-tetrahydroindolo[2,3-b]carbazole is sourced from PubChem (CID 90055724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).