12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole

C39H24N4O2 — CID 118441937

IUPAC12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c(c54)Oc4ccccc4O6)cc3)n2)cc1
InChIInChI=1S/C39H24N4O2/c1-3-11-25(12-4-1)37-40-38(26-13-5-2-6-14-26)42-39(41-37)27-19-21-28(22-20-27)43-31-16-8-7-15-29(31)30-23-24-34-36(35(30)43)45-33-18-10-9-17-32(33)44-34/h1-24H
InChIKeyCOOFDBGSTASFFC-UHFFFAOYSA-N
MW580.65 g/mol
LogP9.87
Rot. Bonds4

About 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole

12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole (PubChem CID 118441937) has the molecular formula C39H24N4O2 and a molecular weight of 580.65 g/mol. Its IUPAC name is 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole.

Molecular Properties

Compound Name12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole
PubChem CID118441937
Molecular FormulaC39H24N4O2
Molecular Weight580.65 g/mol
Exact Mass580.19
IUPAC Name12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c(c54)Oc4ccccc4O6)cc3)n2)cc1
InChIInChI=1S/C39H24N4O2/c1-3-11-25(12-4-1)37-40-38(26-13-5-2-6-14-26)42-39(41-37)27-19-21-28(22-20-27)43-31-16-8-7-15-29(31)30-23-24-34-36(35(30)43)45-33-18-10-9-17-32(33)44-34/h1-24H
InChIKeyCOOFDBGSTASFFC-UHFFFAOYSA-N
XLogP9.87
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.65
LogP ≤ 59.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

12-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole
CID 129231062
12-[4-(10-phenylphenazin-5-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole
CID 118442312
12-carbazol-9-yl-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 121385386
4-phenyl-N-[4-[4-(9-phenyl-[1,4]benzodioxino[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 118441918
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylcarbazole
CID 146491445
12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 156556541
15-phenyl-4-[4-(4-phenylphenyl)quinazolin-2-yl]-18,25-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.017,26.019,24]octacosa-1(16),2(14),3(11),5,7,9,12,17(26),19,21,23,27-dodecaene
CID 145390325
3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-18,25-dioxa-3-azahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(17),2(10),4,6,8,11,13,15,19,21,23-undecaene
CID 121446298
9-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 122425259
9-[4-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 59779621
12-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 170268456
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazole
CID 163629204

Frequently Asked Questions

What is the IUPAC name of 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole?
The IUPAC name of 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole (CID 118441937) is 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole.
What is the SMILES notation for 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole?
The canonical SMILES for 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c(c54)Oc4ccccc4O6)cc3)n2)cc1.
What is the InChIKey of 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole?
The InChIKey is COOFDBGSTASFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N4O2/c1-3-11-25(12-4-1)37-40-38(26-13-5-2-6-14-26)42-39(41-37)27-19-21-28(22-20-27)43-31-16-8-7-15-29(31)30-23-24-34-36(35(30)43)45-33-18-10-9-17-32(33)44-34/h1-24H.
What are the key properties of 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole?
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole has a molecular weight of 580.65 g/mol, XLogP of 9.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole is sourced from PubChem (CID 118441937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).