11-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-5-phenylindolo[3,2-b]carbazole

C39H27N5 — CID 90247491

IUPAC11-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-5-phenylindolo[3,2-b]carbazole
SMILESc1ccc(C2=NC(n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)N=C(c3ccccc3)N2)cc1
InChIInChI=1S/C39H27N5/c1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-34-23-13-11-21-30(34)32-24-35-31(25-36(32)44)29-20-10-12-22-33(29)43(35)28-18-8-3-9-19-28/h1-25,39H,(H,40,41,42)
InChIKeyPQHOOEJXHIWYOY-UHFFFAOYSA-N
MW565.68 g/mol
LogP8.84
Rot. Bonds4

About 11-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-5-phenylindolo[3,2-b]carbazole

11-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-5-phenylindolo[3,2-b]carbazole (PubChem CID 90247491) has the molecular formula C39H27N5 and a molecular weight of 565.68 g/mol. Its IUPAC name is 11-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-5-phenylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-5-phenylindolo[3,2-b]carbazole
PubChem CID90247491
Molecular FormulaC39H27N5
Molecular Weight565.68 g/mol
Exact Mass565.23
IUPAC Name11-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-5-phenylindolo[3,2-b]carbazole
SMILESc1ccc(C2=NC(n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)N=C(c3ccccc3)N2)cc1
InChIInChI=1S/C39H27N5/c1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-34-23-13-11-21-30(34)32-24-35-31(25-36(32)44)29-20-10-12-22-33(29)43(35)28-18-8-3-9-19-28/h1-25,39H,(H,40,41,42)
InChIKeyPQHOOEJXHIWYOY-UHFFFAOYSA-N
XLogP8.84
TPSA46.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.68
LogP ≤ 58.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 11-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-5-phenylindolo[3,2-b]carbazole with MolForge

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Related Compounds

7-(3-phenylphenyl)-5-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]indolo[2,3-b]carbazole
CID 166961159
5,9-diphenyl-14-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 174277243
11-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-15,25-dioxa-11-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene
CID 118312871
5-(3-phenylphenyl)-12-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]indolo[3,2-c]carbazole
CID 167216997
11-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-5-phenylindolo[3,2-b]carbazole
CID 137220455
5-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-11a-methyl-12-(9-phenylcarbazol-3-yl)-7bH-indolo[3,2-c]carbazole
CID 70912403
5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 142356573
2-(4-chloro-4-methyl-6-phenyl-1H-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 163416253
5-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-15-thia-5-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(23),2(14),3,6,8,10,12,16,18,20(24),21-undecaene
CID 142405077
3-[9-(2,6-diphenyl-1,4-dihydropyrimidin-4-yl)carbazol-3-yl]-9-pyridin-4-ylcarbazole
CID 121420530
11-[2-[3,5-bis[5-(5-phenylindolo[3,2-b]carbazol-11-yl)pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-5-phenylindolo[3,2-b]carbazole
CID 153482869
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

Frequently Asked Questions

What is the IUPAC name of 11-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-5-phenylindolo[3,2-b]carbazole?
The IUPAC name of 11-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-5-phenylindolo[3,2-b]carbazole (CID 90247491) is 11-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-5-phenylindolo[3,2-b]carbazole.
What is the SMILES notation for 11-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-5-phenylindolo[3,2-b]carbazole?
The canonical SMILES for 11-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-5-phenylindolo[3,2-b]carbazole is c1ccc(C2=NC(n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)N=C(c3ccccc3)N2)cc1.
What is the InChIKey of 11-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-5-phenylindolo[3,2-b]carbazole?
The InChIKey is PQHOOEJXHIWYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27N5/c1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-34-23-13-11-21-30(34)32-24-35-31(25-36(32)44)29-20-10-12-22-33(29)43(35)28-18-8-3-9-19-28/h1-25,39H,(H,40,41,42).
What are the key properties of 11-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-5-phenylindolo[3,2-b]carbazole?
11-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-5-phenylindolo[3,2-b]carbazole has a molecular weight of 565.68 g/mol, XLogP of 8.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-5-phenylindolo[3,2-b]carbazole is sourced from PubChem (CID 90247491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).