7-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylindolo[2,3-c]isoquinolin-5-one

C36H23N5O — CID 155152609

IUPAC7-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylindolo[2,3-c]isoquinolin-5-one
SMILESO=c1c2ccccc2c2c3ccccc3n(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2n1-c1ccccc1
InChIInChI=1S/C36H23N5O/c42-35-28-21-11-10-20-27(28)31-29-22-12-13-23-30(29)41(34(31)40(35)26-18-8-3-9-19-26)36-38-32(24-14-4-1-5-15-24)37-33(39-36)25-16-6-2-7-17-25/h1-23H
InChIKeyYHWYJTXPDFDRIB-UHFFFAOYSA-N
MW541.61 g/mol
LogP7.61
Rot. Bonds4

About 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylindolo[2,3-c]isoquinolin-5-one

7-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylindolo[2,3-c]isoquinolin-5-one (PubChem CID 155152609) has the molecular formula C36H23N5O and a molecular weight of 541.61 g/mol. Its IUPAC name is 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylindolo[2,3-c]isoquinolin-5-one.

Molecular Properties

Compound Name7-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylindolo[2,3-c]isoquinolin-5-one
PubChem CID155152609
Molecular FormulaC36H23N5O
Molecular Weight541.61 g/mol
Exact Mass541.19
IUPAC Name7-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylindolo[2,3-c]isoquinolin-5-one
SMILESO=c1c2ccccc2c2c3ccccc3n(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2n1-c1ccccc1
InChIInChI=1S/C36H23N5O/c42-35-28-21-11-10-20-27(28)31-29-22-12-13-23-30(29)41(34(31)40(35)26-18-8-3-9-19-26)36-38-32(24-14-4-1-5-15-24)37-33(39-36)25-16-6-2-7-17-25/h1-23H
InChIKeyYHWYJTXPDFDRIB-UHFFFAOYSA-N
XLogP7.61
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.61
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylindolo[2,3-c]isoquinolin-5-one with MolForge

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Related Compounds

11-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,20-diphenyl-9,11,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,14,16,18-octaen-12-one
CID 155137834
6-phenyl-7-(3-phenylphenyl)indolo[2,3-c]isoquinolin-5-one
CID 155152472
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 58142333
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,20-diphenyl-3,11,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,14,16,18-octaen-12-one
CID 164786365
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,21-diphenyl-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 58142309
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-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 118502129
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 135227760
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 140937273
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
25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-26-phenyl-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
CID 163606277
9,18,27-tris[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 135227811

Frequently Asked Questions

What is the IUPAC name of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylindolo[2,3-c]isoquinolin-5-one?
The IUPAC name of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylindolo[2,3-c]isoquinolin-5-one (CID 155152609) is 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylindolo[2,3-c]isoquinolin-5-one.
What is the SMILES notation for 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylindolo[2,3-c]isoquinolin-5-one?
The canonical SMILES for 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylindolo[2,3-c]isoquinolin-5-one is O=c1c2ccccc2c2c3ccccc3n(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2n1-c1ccccc1.
What is the InChIKey of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylindolo[2,3-c]isoquinolin-5-one?
The InChIKey is YHWYJTXPDFDRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23N5O/c42-35-28-21-11-10-20-27(28)31-29-22-12-13-23-30(29)41(34(31)40(35)26-18-8-3-9-19-26)36-38-32(24-14-4-1-5-15-24)37-33(39-36)25-16-6-2-7-17-25/h1-23H.
What are the key properties of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylindolo[2,3-c]isoquinolin-5-one?
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylindolo[2,3-c]isoquinolin-5-one has a molecular weight of 541.61 g/mol, XLogP of 7.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylindolo[2,3-c]isoquinolin-5-one is sourced from PubChem (CID 155152609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).