7-(3-phenylphenyl)-5-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]indolo[2,3-b]carbazole

C51H35N5 — CID 166961159

IUPAC7-(3-phenylphenyl)-5-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]indolo[2,3-b]carbazole
SMILESc1ccc(C2=NC(n3c4ccccc4c4cc5c6ccccc6n(-c6cccc(-c7ccccc7)c6)c5cc43)N=C(c3ccc(-c4ccccc4)cc3)N2)cc1
InChIInChI=1S/C51H35N5/c1-4-15-34(16-5-1)36-27-29-38(30-28-36)50-52-49(37-19-8-3-9-20-37)53-51(54-50)56-46-26-13-11-24-42(46)44-32-43-41-23-10-12-25-45(41)55(47(43)33-48(44)56)40-22-14-21-39(31-40)35-17-6-2-7-18-35/h1-33,51H,(H,52,53,54)
InChIKeyDEVMSXIUYFEFHR-UHFFFAOYSA-N
MW717.88 g/mol
LogP12.18
Rot. Bonds6

About 7-(3-phenylphenyl)-5-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]indolo[2,3-b]carbazole

7-(3-phenylphenyl)-5-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]indolo[2,3-b]carbazole (PubChem CID 166961159) has the molecular formula C51H35N5 and a molecular weight of 717.88 g/mol. Its IUPAC name is 7-(3-phenylphenyl)-5-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]indolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-(3-phenylphenyl)-5-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]indolo[2,3-b]carbazole
PubChem CID166961159
Molecular FormulaC51H35N5
Molecular Weight717.88 g/mol
Exact Mass717.29
IUPAC Name7-(3-phenylphenyl)-5-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]indolo[2,3-b]carbazole
SMILESc1ccc(C2=NC(n3c4ccccc4c4cc5c6ccccc6n(-c6cccc(-c7ccccc7)c6)c5cc43)N=C(c3ccc(-c4ccccc4)cc3)N2)cc1
InChIInChI=1S/C51H35N5/c1-4-15-34(16-5-1)36-27-29-38(30-28-36)50-52-49(37-19-8-3-9-20-37)53-51(54-50)56-46-26-13-11-24-42(46)44-32-43-41-23-10-12-25-45(41)55(47(43)33-48(44)56)40-22-14-21-39(31-40)35-17-6-2-7-18-35/h1-33,51H,(H,52,53,54)
InChIKeyDEVMSXIUYFEFHR-UHFFFAOYSA-N
XLogP12.18
TPSA46.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.88
LogP ≤ 512.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

11-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-5-phenylindolo[3,2-b]carbazole
CID 90247491
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
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
7-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 134168520
7-phenyl-5-[3-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[2,3-b]carbazole
CID 134168539
5-(9-phenylcarbazol-3-yl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole;7-phenyl-5-(9-phenylcarbazol-3-yl)indolo[2,3-b]carbazole;7-phenyl-5-[9-(3-phenylphenyl)carbazol-3-yl]indolo[2,3-b]carbazole
CID 158411261
5-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 126580236
12-phenyl-16-(3-phenylphenyl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 147944550
2-carbazol-9-yl-5-phenyl-7-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 134194417
7-(3-phenylphenyl)-5-(2-phenylpyrimidin-5-yl)indolo[2,3-b]carbazole
CID 118529339
9-(3-phenylphenyl)-2-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazole
CID 165386024
9-[3-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041263

Frequently Asked Questions

What is the IUPAC name of 7-(3-phenylphenyl)-5-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]indolo[2,3-b]carbazole?
The IUPAC name of 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) is 7-(3-phenylphenyl)-5-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]indolo[2,3-b]carbazole.
What is the SMILES notation for 7-(3-phenylphenyl)-5-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]indolo[2,3-b]carbazole?
The canonical SMILES for 7-(3-phenylphenyl)-5-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]indolo[2,3-b]carbazole is c1ccc(C2=NC(n3c4ccccc4c4cc5c6ccccc6n(-c6cccc(-c7ccccc7)c6)c5cc43)N=C(c3ccc(-c4ccccc4)cc3)N2)cc1.
What is the InChIKey of 7-(3-phenylphenyl)-5-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]indolo[2,3-b]carbazole?
The InChIKey is DEVMSXIUYFEFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N5/c1-4-15-34(16-5-1)36-27-29-38(30-28-36)50-52-49(37-19-8-3-9-20-37)53-51(54-50)56-46-26-13-11-24-42(46)44-32-43-41-23-10-12-25-45(41)55(47(43)33-48(44)56)40-22-14-21-39(31-40)35-17-6-2-7-18-35/h1-33,51H,(H,52,53,54).
What are the key properties of 7-(3-phenylphenyl)-5-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]indolo[2,3-b]carbazole?
7-(3-phenylphenyl)-5-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]indolo[2,3-b]carbazole has a molecular weight of 717.88 g/mol, XLogP of 12.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-phenylphenyl)-5-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]indolo[2,3-b]carbazole is sourced from PubChem (CID 166961159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).