9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole

C45H31N5 — CID 146530782

IUPAC9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
SMILESC1=CC2c3cc(-n4c5ccccc5c5ccccc54)ccc3N(c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)C2C=C1
InChIInChI=1S/C45H31N5/c1-3-14-30(15-4-1)43-46-44(31-16-5-2-6-17-31)48-45(47-43)32-18-13-19-33(28-32)49-41-25-12-9-22-37(41)38-29-34(26-27-42(38)49)50-39-23-10-7-20-35(39)36-21-8-11-24-40(36)50/h1-29,37,41H
InChIKeyRGFWCCDFWSBNKB-UHFFFAOYSA-N
MW641.78 g/mol
LogP10.70
Rot. Bonds5

About 9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole

9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole (PubChem CID 146530782) has the molecular formula C45H31N5 and a molecular weight of 641.78 g/mol. Its IUPAC name is 9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole.

Molecular Properties

Compound Name9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
PubChem CID146530782
Molecular FormulaC45H31N5
Molecular Weight641.78 g/mol
Exact Mass641.26
IUPAC Name9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
SMILESC1=CC2c3cc(-n4c5ccccc5c5ccccc54)ccc3N(c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)C2C=C1
InChIInChI=1S/C45H31N5/c1-3-14-30(15-4-1)43-46-44(31-16-5-2-6-17-31)48-45(47-43)32-18-13-19-33(28-32)49-41-25-12-9-22-37(41)38-29-34(26-27-42(38)49)50-39-23-10-7-20-35(39)36-21-8-11-24-40(36)50/h1-29,37,41H
InChIKeyRGFWCCDFWSBNKB-UHFFFAOYSA-N
XLogP10.70
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.78
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4a,9a-dihydrocarbazol-9-yl)-9-[3-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 134187059
11-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenyl-4a,12a-dihydroindolo[2,3-a]carbazole
CID 123849393
3-[9-(3-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 145339560
(4aR)-12-(3-phenylphenyl)-11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-4a,12a-dihydroindolo[2,3-a]carbazole
CID 170023088
2,7-di(carbazol-9-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 146179701
9-(4-phenylphenyl)-3-[9-[4-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170269959
5,11-bis(3-carbazol-9-ylphenyl)-4a,12b-dihydroindolo[3,2-b]carbazole
CID 170205828
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole
CID 70912427
9-phenyl-2-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole
CID 144596228
11-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-4a,12a-dihydroindolo[2,3-a]carbazole
CID 167285574
2-carbazol-9-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenyl-6-(6-phenyl-4a,9a-dihydrocarbazol-9-yl)carbazole
CID 159841599
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-4a,12a-dihydroindolo[2,3-a]carbazole
CID 139479529

Frequently Asked Questions

What is the IUPAC name of 9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole?
The IUPAC name of 9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole (CID 146530782) is 9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole.
What is the SMILES notation for 9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole?
The canonical SMILES for 9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole is C1=CC2c3cc(-n4c5ccccc5c5ccccc54)ccc3N(c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)C2C=C1.
What is the InChIKey of 9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole?
The InChIKey is RGFWCCDFWSBNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N5/c1-3-14-30(15-4-1)43-46-44(31-16-5-2-6-17-31)48-45(47-43)32-18-13-19-33(28-32)49-41-25-12-9-22-37(41)38-29-34(26-27-42(38)49)50-39-23-10-7-20-35(39)36-21-8-11-24-40(36)50/h1-29,37,41H.
What are the key properties of 9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole?
9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole has a molecular weight of 641.78 g/mol, XLogP of 10.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole is sourced from PubChem (CID 146530782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).