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

C45H31N5 — CID 136619917

IUPAC3-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazole
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)=N2)cc1
InChIInChI=1S/C45H31N5/c1-3-13-30(14-4-1)43-46-44(31-15-5-2-6-16-31)48-45(47-43)32-23-25-33(26-24-32)49-41-22-12-9-19-37(41)38-29-34(27-28-42(38)49)50-39-20-10-7-17-35(39)36-18-8-11-21-40(36)50/h1-29,43H,(H,46,47,48)
InChIKeyWKIQUVPJJOYMSX-UHFFFAOYSA-N
MW641.78 g/mol
LogP10.38
Rot. Bonds5

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

3-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazole (PubChem CID 136619917) has the molecular formula C45H31N5 and a molecular weight of 641.78 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazole
PubChem CID136619917
Molecular FormulaC45H31N5
Molecular Weight641.78 g/mol
Exact Mass641.26
IUPAC Name3-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazole
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)=N2)cc1
InChIInChI=1S/C45H31N5/c1-3-13-30(14-4-1)43-46-44(31-15-5-2-6-16-31)48-45(47-43)32-23-25-33(26-24-32)49-41-22-12-9-19-37(41)38-29-34(27-28-42(38)49)50-39-20-10-7-17-35(39)36-18-8-11-21-40(36)50/h1-29,43H,(H,46,47,48)
InChIKeyWKIQUVPJJOYMSX-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-(9H-carbazol-3-yl)-9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 137198394
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
2,6-di(carbazol-9-yl)-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole
CID 153304562
9-[3-carbazol-9-yl-5-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 137220453
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-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-3-phenylcarbazole
CID 166961445
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
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-dibenzothiophen-2-yl-2-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-4-yl]carbazole
CID 139555379
7-[4-[6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 166961463
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
11-[5-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-pyridinyl]-5-naphthalen-2-ylindolo[3,2-b]carbazole
CID 145190373

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazole?
The IUPAC name of 3-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazole (CID 136619917) is 3-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazole is c1ccc(C2=NC(c3ccccc3)NC(c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)=N2)cc1.
What is the InChIKey of 3-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazole?
The InChIKey is WKIQUVPJJOYMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N5/c1-3-13-30(14-4-1)43-46-44(31-15-5-2-6-16-31)48-45(47-43)32-23-25-33(26-24-32)49-41-22-12-9-19-37(41)38-29-34(27-28-42(38)49)50-39-20-10-7-17-35(39)36-18-8-11-21-40(36)50/h1-29,43H,(H,46,47,48).
What are the key properties of 3-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazole?
3-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-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 3-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazole is sourced from PubChem (CID 136619917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).