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

C38H26N6 — CID 137123822

IUPAC3-carbazol-9-yl-9-(4-phenyl-2-pyridin-3-yl-1,2-dihydro-1,3,5-triazin-6-yl)carbazole
SMILESc1ccc(C2=NC(c3cccnc3)NC(n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)=N2)cc1
InChIInChI=1S/C38H26N6/c1-2-11-25(12-3-1)36-40-37(26-13-10-22-39-24-26)42-38(41-36)44-34-19-9-6-16-30(34)31-23-27(20-21-35(31)44)43-32-17-7-4-14-28(32)29-15-5-8-18-33(29)43/h1-24,37H,(H,40,41,42)
InChIKeyUKWRLNUBUIDLKE-UHFFFAOYSA-N
MW566.67 g/mol
LogP8.24
Rot. Bonds3

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

3-carbazol-9-yl-9-(4-phenyl-2-pyridin-3-yl-1,2-dihydro-1,3,5-triazin-6-yl)carbazole (PubChem CID 137123822) has the molecular formula C38H26N6 and a molecular weight of 566.67 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-(4-phenyl-2-pyridin-3-yl-1,2-dihydro-1,3,5-triazin-6-yl)carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-(4-phenyl-2-pyridin-3-yl-1,2-dihydro-1,3,5-triazin-6-yl)carbazole
PubChem CID137123822
Molecular FormulaC38H26N6
Molecular Weight566.67 g/mol
Exact Mass566.22
IUPAC Name3-carbazol-9-yl-9-(4-phenyl-2-pyridin-3-yl-1,2-dihydro-1,3,5-triazin-6-yl)carbazole
SMILESc1ccc(C2=NC(c3cccnc3)NC(n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)=N2)cc1
InChIInChI=1S/C38H26N6/c1-2-11-25(12-3-1)36-40-37(26-13-10-22-39-24-26)42-38(41-36)44-34-19-9-6-16-30(34)31-23-27(20-21-35(31)44)43-32-17-7-4-14-28(32)29-15-5-8-18-33(29)43/h1-24,37H,(H,40,41,42)
InChIKeyUKWRLNUBUIDLKE-UHFFFAOYSA-N
XLogP8.24
TPSA59.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.67
LogP ≤ 58.24
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
3-carbazol-9-yl-9-(3-pyridin-3-ylphenyl)carbazole
CID 126749641
12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole
CID 167154477
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-[4-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170138787
12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-3,8,11-triphenylindolo[2,3-a]carbazole
CID 137245677
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
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-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-3-[3-(3-triphenylen-2-ylphenyl)phenyl]carbazole
CID 137208682
7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-(7-phenylnaphthalen-2-yl)benzo[c]carbazole
CID 137214924
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
11-(3,5-diphenylphenyl)-12-[4-phenyl-2-[3-(6-phenyl-2-pyridinyl)phenyl]-1,2-dihydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole
CID 166922878
9-[3-carbazol-9-yl-5-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 137220453

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-(4-phenyl-2-pyridin-3-yl-1,2-dihydro-1,3,5-triazin-6-yl)carbazole?
The IUPAC name of 3-carbazol-9-yl-9-(4-phenyl-2-pyridin-3-yl-1,2-dihydro-1,3,5-triazin-6-yl)carbazole (CID 137123822) is 3-carbazol-9-yl-9-(4-phenyl-2-pyridin-3-yl-1,2-dihydro-1,3,5-triazin-6-yl)carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-(4-phenyl-2-pyridin-3-yl-1,2-dihydro-1,3,5-triazin-6-yl)carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-(4-phenyl-2-pyridin-3-yl-1,2-dihydro-1,3,5-triazin-6-yl)carbazole is c1ccc(C2=NC(c3cccnc3)NC(n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)=N2)cc1.
What is the InChIKey of 3-carbazol-9-yl-9-(4-phenyl-2-pyridin-3-yl-1,2-dihydro-1,3,5-triazin-6-yl)carbazole?
The InChIKey is UKWRLNUBUIDLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N6/c1-2-11-25(12-3-1)36-40-37(26-13-10-22-39-24-26)42-38(41-36)44-34-19-9-6-16-30(34)31-23-27(20-21-35(31)44)43-32-17-7-4-14-28(32)29-15-5-8-18-33(29)43/h1-24,37H,(H,40,41,42).
What are the key properties of 3-carbazol-9-yl-9-(4-phenyl-2-pyridin-3-yl-1,2-dihydro-1,3,5-triazin-6-yl)carbazole?
3-carbazol-9-yl-9-(4-phenyl-2-pyridin-3-yl-1,2-dihydro-1,3,5-triazin-6-yl)carbazole has a molecular weight of 566.67 g/mol, XLogP of 8.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-(4-phenyl-2-pyridin-3-yl-1,2-dihydro-1,3,5-triazin-6-yl)carbazole is sourced from PubChem (CID 137123822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).