12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyridin-4-ylindolo[2,3-a]carbazole

C38H24N6 — CID 59413482

IUPAC12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyridin-4-ylindolo[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccncc6)c5c43)n2)cc1
InChIInChI=1S/C38H24N6/c1-3-11-25(12-4-1)36-40-37(26-13-5-2-6-14-26)42-38(41-36)44-33-18-10-8-16-29(33)31-20-19-30-28-15-7-9-17-32(28)43(34(30)35(31)44)27-21-23-39-24-22-27/h1-24H
InChIKeyGFJJIIGTVCYWMT-UHFFFAOYSA-N
MW564.65 g/mol
LogP8.79
Rot. Bonds4

About 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyridin-4-ylindolo[2,3-a]carbazole

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyridin-4-ylindolo[2,3-a]carbazole (PubChem CID 59413482) has the molecular formula C38H24N6 and a molecular weight of 564.65 g/mol. Its IUPAC name is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyridin-4-ylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyridin-4-ylindolo[2,3-a]carbazole
PubChem CID59413482
Molecular FormulaC38H24N6
Molecular Weight564.65 g/mol
Exact Mass564.21
IUPAC Name12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyridin-4-ylindolo[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccncc6)c5c43)n2)cc1
InChIInChI=1S/C38H24N6/c1-3-11-25(12-4-1)36-40-37(26-13-5-2-6-14-26)42-38(41-36)44-33-18-10-8-16-29(33)31-20-19-30-28-15-7-9-17-32(28)43(34(30)35(31)44)27-21-23-39-24-22-27/h1-24H
InChIKeyGFJJIIGTVCYWMT-UHFFFAOYSA-N
XLogP8.79
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.65
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 156556541
20-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-3,6,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 139524740
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;ethane
CID 160718098
6,31-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene
CID 88949841
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,19,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene
CID 122524145
12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 169037027
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 161432881
12-[4-[4-(4-fluorophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 144596071
24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 122523984
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-27-phenyl-9,27-diazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18,20(28),21,23,25-tridecaene
CID 135232286
3,8-dideuterio-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 140825312
3-carbazol-9-yl-12-(4-phenylphenyl)-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 168729477

Frequently Asked Questions

What is the IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyridin-4-ylindolo[2,3-a]carbazole?
The IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyridin-4-ylindolo[2,3-a]carbazole (CID 59413482) is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyridin-4-ylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyridin-4-ylindolo[2,3-a]carbazole?
The canonical SMILES for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyridin-4-ylindolo[2,3-a]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccncc6)c5c43)n2)cc1.
What is the InChIKey of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyridin-4-ylindolo[2,3-a]carbazole?
The InChIKey is GFJJIIGTVCYWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N6/c1-3-11-25(12-4-1)36-40-37(26-13-5-2-6-14-26)42-38(41-36)44-33-18-10-8-16-29(33)31-20-19-30-28-15-7-9-17-32(28)43(34(30)35(31)44)27-21-23-39-24-22-27/h1-24H.
What are the key properties of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyridin-4-ylindolo[2,3-a]carbazole?
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyridin-4-ylindolo[2,3-a]carbazole has a molecular weight of 564.65 g/mol, XLogP of 8.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyridin-4-ylindolo[2,3-a]carbazole is sourced from PubChem (CID 59413482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).