5,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[1,2-c]quinazolin-6-one

C45H28N8O — CID 155120301

IUPAC5,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[1,2-c]quinazolin-6-one
SMILESO=c1n(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2ccccc2c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccccc3n12
InChIInChI=1S/C45H28N8O/c54-45-52-35-27-15-13-25-33(35)37(43-48-39(29-17-5-1-6-18-29)46-40(49-43)30-19-7-2-8-20-30)38(52)34-26-14-16-28-36(34)53(45)44-50-41(31-21-9-3-10-22-31)47-42(51-44)32-23-11-4-12-24-32/h1-28H
InChIKeyFXWJLSWYCCOKSB-UHFFFAOYSA-N
MW696.77 g/mol
LogP9.10
Rot. Bonds6

About 5,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[1,2-c]quinazolin-6-one

5,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[1,2-c]quinazolin-6-one (PubChem CID 155120301) has the molecular formula C45H28N8O and a molecular weight of 696.77 g/mol. Its IUPAC name is 5,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[1,2-c]quinazolin-6-one.

Molecular Properties

Compound Name5,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[1,2-c]quinazolin-6-one
PubChem CID155120301
Molecular FormulaC45H28N8O
Molecular Weight696.77 g/mol
Exact Mass696.24
IUPAC Name5,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[1,2-c]quinazolin-6-one
SMILESO=c1n(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2ccccc2c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccccc3n12
InChIInChI=1S/C45H28N8O/c54-45-52-35-27-15-13-25-33(35)37(43-48-39(29-17-5-1-6-18-29)46-40(49-43)30-19-7-2-8-20-30)38(52)34-26-14-16-28-36(34)53(45)44-50-41(31-21-9-3-10-22-31)47-42(51-44)32-23-11-4-12-24-32/h1-28H
InChIKeyFXWJLSWYCCOKSB-UHFFFAOYSA-N
XLogP9.10
TPSA103.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.77
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

5-(4,6-diphenylpyrimidin-2-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[1,2-c]quinazolin-6-one
CID 164776268
8-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-1,3,8-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12,14,16-heptaen-9-one
CID 146638502
7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]quinazolin-5-one
CID 171448271
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2,3,4-tetraphenylcarbazole
CID 131997783
10-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 171748647
18-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,10,18-triazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,20,22,24-undecaen-19-one
CID 165126136
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
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
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
9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 176880022
11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1,11-diazaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaene
CID 168762836
9-[3-carbazol-9-yl-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 142508176

Frequently Asked Questions

What is the IUPAC name of 5,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[1,2-c]quinazolin-6-one?
The IUPAC name of 5,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[1,2-c]quinazolin-6-one (CID 155120301) is 5,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[1,2-c]quinazolin-6-one.
What is the SMILES notation for 5,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[1,2-c]quinazolin-6-one?
The canonical SMILES for 5,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[1,2-c]quinazolin-6-one is O=c1n(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2ccccc2c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccccc3n12.
What is the InChIKey of 5,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[1,2-c]quinazolin-6-one?
The InChIKey is FXWJLSWYCCOKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N8O/c54-45-52-35-27-15-13-25-33(35)37(43-48-39(29-17-5-1-6-18-29)46-40(49-43)30-19-7-2-8-20-30)38(52)34-26-14-16-28-36(34)53(45)44-50-41(31-21-9-3-10-22-31)47-42(51-44)32-23-11-4-12-24-32/h1-28H.
What are the key properties of 5,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[1,2-c]quinazolin-6-one?
5,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[1,2-c]quinazolin-6-one has a molecular weight of 696.77 g/mol, XLogP of 9.10, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[1,2-c]quinazolin-6-one is sourced from PubChem (CID 155120301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).