9-[3-carbazol-9-yl-5-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole

C45H31N5 — CID 137220453

IUPAC9-[3-carbazol-9-yl-5-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
SMILESc1ccc(C2=NC(c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C45H31N5/c1-3-15-30(16-4-1)43-46-44(31-17-5-2-6-18-31)48-45(47-43)32-27-33(49-39-23-11-7-19-35(39)36-20-8-12-24-40(36)49)29-34(28-32)50-41-25-13-9-21-37(41)38-22-10-14-26-42(38)50/h1-29,43H,(H,46,47,48)
InChIKeyFIFRKKUMHQGPTD-UHFFFAOYSA-N
MW641.78 g/mol
LogP10.38
Rot. Bonds5

About 9-[3-carbazol-9-yl-5-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole

9-[3-carbazol-9-yl-5-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole (PubChem CID 137220453) has the molecular formula C45H31N5 and a molecular weight of 641.78 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[3-carbazol-9-yl-5-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
PubChem CID137220453
Molecular FormulaC45H31N5
Molecular Weight641.78 g/mol
Exact Mass641.26
IUPAC Name9-[3-carbazol-9-yl-5-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
SMILESc1ccc(C2=NC(c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C45H31N5/c1-3-15-30(16-4-1)43-46-44(31-17-5-2-6-18-31)48-45(47-43)32-27-33(49-39-23-11-7-19-35(39)36-20-8-12-24-40(36)49)29-34(28-32)50-41-25-13-9-21-37(41)38-22-10-14-26-42(38)50/h1-29,43H,(H,46,47,48)
InChIKeyFIFRKKUMHQGPTD-UHFFFAOYSA-N
XLogP10.38
TPSA46.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.78
LogP ≤ 510.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazole
CID 136619917
3-(9-phenylcarbazol-3-yl)-9-[3-(6-phenyl-2-pyridin-4-yl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 137123817
9-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-3-[3-(3-triphenylen-2-ylphenyl)phenyl]carbazole
CID 137208682
3-(9H-carbazol-3-yl)-9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 137198394
11-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 162498267
11-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-5-phenylindolo[3,2-b]carbazole
CID 137220455
9-[3-[4-[2-(3-phenylphenyl)phenyl]-2-[4-(3-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]carbazole
CID 137128475
9-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-3-phenylcarbazole
CID 166961445
9-dibenzothiophen-2-yl-2-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-4-yl]carbazole
CID 139555379
9-[17-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]carbazole
CID 146664251
2-dibenzofuran-1-yl-9-[3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 163852611
25-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-15-phenyl-11-oxa-15,25-diazaheptacyclo[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 145268764

Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-5-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole?
The IUPAC name of 9-[3-carbazol-9-yl-5-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole (CID 137220453) is 9-[3-carbazol-9-yl-5-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole.
What is the SMILES notation for 9-[3-carbazol-9-yl-5-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole?
The canonical SMILES for 9-[3-carbazol-9-yl-5-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole is c1ccc(C2=NC(c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)=NC(c3ccccc3)N2)cc1.
What is the InChIKey of 9-[3-carbazol-9-yl-5-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole?
The InChIKey is FIFRKKUMHQGPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N5/c1-3-15-30(16-4-1)43-46-44(31-17-5-2-6-18-31)48-45(47-43)32-27-33(49-39-23-11-7-19-35(39)36-20-8-12-24-40(36)49)29-34(28-32)50-41-25-13-9-21-37(41)38-22-10-14-26-42(38)50/h1-29,43H,(H,46,47,48).
What are the key properties of 9-[3-carbazol-9-yl-5-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole?
9-[3-carbazol-9-yl-5-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole has a molecular weight of 641.78 g/mol, XLogP of 10.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-carbazol-9-yl-5-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole is sourced from PubChem (CID 137220453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).