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

C50H34N6 — CID 137123817

IUPAC3-(9-phenylcarbazol-3-yl)-9-[3-(6-phenyl-2-pyridin-4-yl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
SMILESc1ccc(C2=NC(c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)=NC(c3ccncc3)N2)cc1
InChIInChI=1S/C50H34N6/c1-3-12-33(13-4-1)48-52-49(34-26-28-51-29-27-34)54-50(53-48)37-14-11-17-39(30-37)56-45-21-10-8-19-41(45)43-32-36(23-25-47(43)56)35-22-24-46-42(31-35)40-18-7-9-20-44(40)55(46)38-15-5-2-6-16-38/h1-32,49H,(H,52,53,54)
InChIKeyBMBUVSVPNPMNLQ-UHFFFAOYSA-N
MW718.86 g/mol
LogP11.44
Rot. Bonds6

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

3-(9-phenylcarbazol-3-yl)-9-[3-(6-phenyl-2-pyridin-4-yl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole (PubChem CID 137123817) has the molecular formula C50H34N6 and a molecular weight of 718.86 g/mol. Its IUPAC name is 3-(9-phenylcarbazol-3-yl)-9-[3-(6-phenyl-2-pyridin-4-yl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-(9-phenylcarbazol-3-yl)-9-[3-(6-phenyl-2-pyridin-4-yl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
PubChem CID137123817
Molecular FormulaC50H34N6
Molecular Weight718.86 g/mol
Exact Mass718.28
IUPAC Name3-(9-phenylcarbazol-3-yl)-9-[3-(6-phenyl-2-pyridin-4-yl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
SMILESc1ccc(C2=NC(c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)=NC(c3ccncc3)N2)cc1
InChIInChI=1S/C50H34N6/c1-3-12-33(13-4-1)48-52-49(34-26-28-51-29-27-34)54-50(53-48)37-14-11-17-39(30-37)56-45-21-10-8-19-41(45)43-32-36(23-25-47(43)56)35-22-24-46-42(31-35)40-18-7-9-20-44(40)55(46)38-15-5-2-6-16-38/h1-32,49H,(H,52,53,54)
InChIKeyBMBUVSVPNPMNLQ-UHFFFAOYSA-N
XLogP11.44
TPSA59.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.86
LogP ≤ 511.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
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
9-[3-(6-dibenzothiophen-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-3-phenylcarbazole
CID 174276551
9-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-3-phenylcarbazole
CID 166961445
9-[3-carbazol-9-yl-5-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 137220453
3-(9H-carbazol-3-yl)-9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 137198394
3-[9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;9-[2,4,6-tri(carbazol-9-yl)-3,5-diisocyanophenyl]carbazole
CID 159271639
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-[4-[6-[3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]carbazole
CID 126480816
9-(2,3,4,5,6-pentadeuteriophenyl)-3-[4-[2-phenyl-4-(3-pyridin-3-ylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]carbazole
CID 164843373
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
3-[9-[9-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 137218561
2-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)triphenylen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole
CID 163568782

Frequently Asked Questions

What is the IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-[3-(6-phenyl-2-pyridin-4-yl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole?
The IUPAC name of 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) is 3-(9-phenylcarbazol-3-yl)-9-[3-(6-phenyl-2-pyridin-4-yl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole.
What is the SMILES notation for 3-(9-phenylcarbazol-3-yl)-9-[3-(6-phenyl-2-pyridin-4-yl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole?
The canonical SMILES for 3-(9-phenylcarbazol-3-yl)-9-[3-(6-phenyl-2-pyridin-4-yl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole is c1ccc(C2=NC(c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)=NC(c3ccncc3)N2)cc1.
What is the InChIKey of 3-(9-phenylcarbazol-3-yl)-9-[3-(6-phenyl-2-pyridin-4-yl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole?
The InChIKey is BMBUVSVPNPMNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N6/c1-3-12-33(13-4-1)48-52-49(34-26-28-51-29-27-34)54-50(53-48)37-14-11-17-39(30-37)56-45-21-10-8-19-41(45)43-32-36(23-25-47(43)56)35-22-24-46-42(31-35)40-18-7-9-20-44(40)55(46)38-15-5-2-6-16-38/h1-32,49H,(H,52,53,54).
What are the key properties of 3-(9-phenylcarbazol-3-yl)-9-[3-(6-phenyl-2-pyridin-4-yl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole?
3-(9-phenylcarbazol-3-yl)-9-[3-(6-phenyl-2-pyridin-4-yl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole has a molecular weight of 718.86 g/mol, XLogP of 11.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-phenylcarbazol-3-yl)-9-[3-(6-phenyl-2-pyridin-4-yl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole is sourced from PubChem (CID 137123817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).