11-[5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-5-phenylindolo[3,2-b]carbazole

C44H28N6 — CID 158064088

IUPAC11-[5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-5-phenylindolo[3,2-b]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)nc3)nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])n2)c([2H])c1[2H]
InChIInChI=1S/C44H28N6/c1-4-14-29(15-5-1)42-46-43(30-16-6-2-7-17-30)48-44(47-42)31-24-25-41(45-28-31)50-38-23-13-11-21-34(38)36-26-39-35(27-40(36)50)33-20-10-12-22-37(33)49(39)32-18-8-3-9-19-32/h1-28H/i1D,2D,4D,5D,6D,7D,14D,15D,16D,17D
InChIKeyXBFRATQRPUQTHI-RIMVHXCBSA-N
MW650.81 g/mol
LogP10.46
Rot. Bonds5

About 11-[5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-5-phenylindolo[3,2-b]carbazole

11-[5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-5-phenylindolo[3,2-b]carbazole (PubChem CID 158064088) has the molecular formula C44H28N6 and a molecular weight of 650.81 g/mol. Its IUPAC name is 11-[5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-5-phenylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-[5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-5-phenylindolo[3,2-b]carbazole
PubChem CID158064088
Molecular FormulaC44H28N6
Molecular Weight650.81 g/mol
Exact Mass650.30
IUPAC Name11-[5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-5-phenylindolo[3,2-b]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)nc3)nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])n2)c([2H])c1[2H]
InChIInChI=1S/C44H28N6/c1-4-14-29(15-5-1)42-46-43(30-16-6-2-7-17-30)48-44(47-42)31-24-25-41(45-28-31)50-38-23-13-11-21-34(38)36-26-39-35(27-40(36)50)33-20-10-12-22-37(33)49(39)32-18-8-3-9-19-32/h1-28H/i1D,2D,4D,5D,6D,7D,14D,15D,16D,17D
InChIKeyXBFRATQRPUQTHI-RIMVHXCBSA-N
XLogP10.46
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.81
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

11-[5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-5-phenylindolo[3,2-b]carbazole;11-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole
CID 158064087
11-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenylindolo[3,2-b]carbazole
CID 118487928
11-[4-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole;11-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole
CID 161403390
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 160861876
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole;7-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 158725620
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
11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-5-phenylindolo[3,2-b]carbazole
CID 165165919
11-[4-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-b]carbazole;11-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 158472605
5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile
CID 164927507
3-(9-phenylcarbazol-3-yl)-9-(5-phenyl-2-pyridinyl)carbazole
CID 118581881
3-(9H-carbazol-3-yl)-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole
CID 160628676
7-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 172513412

Frequently Asked Questions

What is the IUPAC name of 11-[5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-5-phenylindolo[3,2-b]carbazole?
The IUPAC name of 11-[5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-5-phenylindolo[3,2-b]carbazole (CID 158064088) is 11-[5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-5-phenylindolo[3,2-b]carbazole.
What is the SMILES notation for 11-[5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-5-phenylindolo[3,2-b]carbazole?
The canonical SMILES for 11-[5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-5-phenylindolo[3,2-b]carbazole is [2H]c1c([2H])c([2H])c(-c2nc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)nc3)nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])n2)c([2H])c1[2H].
What is the InChIKey of 11-[5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-5-phenylindolo[3,2-b]carbazole?
The InChIKey is XBFRATQRPUQTHI-RIMVHXCBSA-N. The full InChI is InChI=1S/C44H28N6/c1-4-14-29(15-5-1)42-46-43(30-16-6-2-7-17-30)48-44(47-42)31-24-25-41(45-28-31)50-38-23-13-11-21-34(38)36-26-39-35(27-40(36)50)33-20-10-12-22-37(33)49(39)32-18-8-3-9-19-32/h1-28H/i1D,2D,4D,5D,6D,7D,14D,15D,16D,17D.
What are the key properties of 11-[5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-5-phenylindolo[3,2-b]carbazole?
11-[5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-5-phenylindolo[3,2-b]carbazole has a molecular weight of 650.81 g/mol, XLogP of 10.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-5-phenylindolo[3,2-b]carbazole is sourced from PubChem (CID 158064088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).