7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole

C44H28N6 — CID 134442866

IUPAC7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccn7)c6cc54)cc3)n2)cc1
InChIInChI=1S/C44H28N6/c1-3-13-29(14-4-1)42-46-43(30-15-5-2-6-16-30)48-44(47-42)31-22-24-32(25-23-31)49-37-19-9-7-17-33(37)35-27-36-34-18-8-10-20-38(34)50(40(36)28-39(35)49)41-21-11-12-26-45-41/h1-28H
InChIKeyOTEFVNDZICGGQW-UHFFFAOYSA-N
MW640.75 g/mol
LogP10.46
Rot. Bonds5

About 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole

7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole (PubChem CID 134442866) has the molecular formula C44H28N6 and a molecular weight of 640.75 g/mol. Its IUPAC name is 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole
PubChem CID134442866
Molecular FormulaC44H28N6
Molecular Weight640.75 g/mol
Exact Mass640.24
IUPAC Name7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccn7)c6cc54)cc3)n2)cc1
InChIInChI=1S/C44H28N6/c1-3-13-29(14-4-1)42-46-43(30-15-5-2-6-16-30)48-44(47-42)31-22-24-32(25-23-31)49-37-19-9-7-17-33(37)35-27-36-34-18-8-10-20-38(34)50(40(36)28-39(35)49)41-21-11-12-26-45-41/h1-28H
InChIKeyOTEFVNDZICGGQW-UHFFFAOYSA-N
XLogP10.46
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.75
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole with MolForge

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Related Compounds

3,7-diphenyl-5-pyridin-2-ylindolo[2,3-b]carbazole
CID 149342051
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole
CID 169037308
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 169037504
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole;7-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 158725620
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole
CID 139481204
7-(4-phenylphenyl)-5-(6-pyridin-2-yl-2-pyridinyl)indolo[2,3-b]carbazole
CID 129254521
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenylindolo[2,3-b]carbazole;5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-(4-phenylphenyl)phenyl]indolo[2,3-b]carbazole;7-(4-phenylphenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 161291971
5-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 169014900
11-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenylindolo[3,2-b]carbazole
CID 118487928
22-[4-[4,6-bis[4-(5,15,29,39-tetraphenyl-5,15,22,29,39-pentazaundecacyclo[21.18.0.02,21.04,19.06,18.08,16.09,14.025,40.026,38.028,36.030,35]hentetraconta-1(41),2,4(19),6(18),7,9,11,13,16,20,23,25(40),26(38),27,30,32,34,36-octadecaen-22-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-5,15,29,39-tetraphenyl-5,15,22,29,39-pentazaundecacyclo[21.18.0.02,21.04,19.06,18.08,16.09,14.025,40.026,38.028,36.030,35]hentetraconta-1(41),2,4(19),6(18),7,9,11,13,16,20,23,25(40),26(38),27,30,32,34,36-octadecaene
CID 88949847
8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-22-pyridin-2-yl-8,22-diazaheptacyclo[13.6.1.04,20.07,19.09,18.012,17.016,21]docosa-1(21),2,4(20),5,7(19),9(18),10,12(17),13,15-decaene
CID 90249770
5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 118508799

Frequently Asked Questions

What is the IUPAC name of 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole?
The IUPAC name of 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole (CID 134442866) is 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole.
What is the SMILES notation for 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole?
The canonical SMILES for 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccn7)c6cc54)cc3)n2)cc1.
What is the InChIKey of 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole?
The InChIKey is OTEFVNDZICGGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N6/c1-3-13-29(14-4-1)42-46-43(30-15-5-2-6-16-30)48-44(47-42)31-22-24-32(25-23-31)49-37-19-9-7-17-33(37)35-27-36-34-18-8-10-20-38(34)50(40(36)28-39(35)49)41-21-11-12-26-45-41/h1-28H.
What are the key properties of 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole?
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole has a molecular weight of 640.75 g/mol, XLogP of 10.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole is sourced from PubChem (CID 134442866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).