12-[4-[6-dibenzofuran-3-yl-2-(9-phenyldibenzofuran-3-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-5-phenylindolo[3,2-c]carbazole

C63H39N5O2 — CID 162363400

IUPAC12-[4-[6-dibenzofuran-3-yl-2-(9-phenyldibenzofuran-3-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-5-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2cccc3oc4cc(C5N=C(c6ccc(-n7c8ccccc8c8ccc9c(c%10ccccc%10n9-c9ccccc9)c87)cc6)N=C(c6ccc7c(c6)oc6ccccc67)N5)ccc4c23)cc1
InChIInChI=1S/C63H39N5O2/c1-3-14-38(15-4-1)44-21-13-25-55-58(44)50-33-29-41(37-57(50)70-55)63-65-61(64-62(66-63)40-28-32-47-46-19-9-12-24-54(46)69-56(47)36-40)39-26-30-43(31-27-39)68-51-22-10-7-18-45(51)48-34-35-53-59(60(48)68)49-20-8-11-23-52(49)67(53)42-16-5-2-6-17-42/h1-37,63H,(H,64,65,66)
InChIKeyNGBPMJYKOYBIBW-UHFFFAOYSA-N
MW898.04 g/mol
LogP15.84
Rot. Bonds6

About 12-[4-[6-dibenzofuran-3-yl-2-(9-phenyldibenzofuran-3-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-5-phenylindolo[3,2-c]carbazole

12-[4-[6-dibenzofuran-3-yl-2-(9-phenyldibenzofuran-3-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-5-phenylindolo[3,2-c]carbazole (PubChem CID 162363400) has the molecular formula C63H39N5O2 and a molecular weight of 898.04 g/mol. Its IUPAC name is 12-[4-[6-dibenzofuran-3-yl-2-(9-phenyldibenzofuran-3-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-5-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-[4-[6-dibenzofuran-3-yl-2-(9-phenyldibenzofuran-3-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-5-phenylindolo[3,2-c]carbazole
PubChem CID162363400
Molecular FormulaC63H39N5O2
Molecular Weight898.04 g/mol
Exact Mass897.31
IUPAC Name12-[4-[6-dibenzofuran-3-yl-2-(9-phenyldibenzofuran-3-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-5-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2cccc3oc4cc(C5N=C(c6ccc(-n7c8ccccc8c8ccc9c(c%10ccccc%10n9-c9ccccc9)c87)cc6)N=C(c6ccc7c(c6)oc6ccccc67)N5)ccc4c23)cc1
InChIInChI=1S/C63H39N5O2/c1-3-14-38(15-4-1)44-21-13-25-55-58(44)50-33-29-41(37-57(50)70-55)63-65-61(64-62(66-63)40-28-32-47-46-19-9-12-24-54(46)69-56(47)36-40)39-26-30-43(31-27-39)68-51-22-10-7-18-45(51)48-34-35-53-59(60(48)68)49-20-8-11-23-52(49)67(53)42-16-5-2-6-17-42/h1-37,63H,(H,64,65,66)
InChIKeyNGBPMJYKOYBIBW-UHFFFAOYSA-N
XLogP15.84
TPSA72.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500898.04
LogP ≤ 515.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 12-[4-[6-dibenzofuran-3-yl-2-(9-phenyldibenzofuran-3-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-5-phenylindolo[3,2-c]carbazole with MolForge

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Related Compounds

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-[2-dibenzofuran-3-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 164975374
3-[9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 162698987
4-dibenzofuran-1-yl-9-[4-[2-[4-phenyl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 167032127
2-dibenzofuran-1-yl-9-[3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 163852611
3-[4-[9-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 166914794
1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 165010591
12-[3-(4-phenylphenyl)phenyl]-1-[6-(3-phenylphenyl)-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzofuro[3,2-a]carbazole
CID 164989882
5-[3-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 155002339
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
9-[5-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-(1-phenylcarbazol-9-yl)carbazole
CID 170097253
9-[6-(7-dibenzofuran-1-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]carbazole
CID 166961266

Frequently Asked Questions

What is the IUPAC name of 12-[4-[6-dibenzofuran-3-yl-2-(9-phenyldibenzofuran-3-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-5-phenylindolo[3,2-c]carbazole?
The IUPAC name of 12-[4-[6-dibenzofuran-3-yl-2-(9-phenyldibenzofuran-3-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-5-phenylindolo[3,2-c]carbazole (CID 162363400) is 12-[4-[6-dibenzofuran-3-yl-2-(9-phenyldibenzofuran-3-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-5-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 12-[4-[6-dibenzofuran-3-yl-2-(9-phenyldibenzofuran-3-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-5-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 12-[4-[6-dibenzofuran-3-yl-2-(9-phenyldibenzofuran-3-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-5-phenylindolo[3,2-c]carbazole is c1ccc(-c2cccc3oc4cc(C5N=C(c6ccc(-n7c8ccccc8c8ccc9c(c%10ccccc%10n9-c9ccccc9)c87)cc6)N=C(c6ccc7c(c6)oc6ccccc67)N5)ccc4c23)cc1.
What is the InChIKey of 12-[4-[6-dibenzofuran-3-yl-2-(9-phenyldibenzofuran-3-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-5-phenylindolo[3,2-c]carbazole?
The InChIKey is NGBPMJYKOYBIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N5O2/c1-3-14-38(15-4-1)44-21-13-25-55-58(44)50-33-29-41(37-57(50)70-55)63-65-61(64-62(66-63)40-28-32-47-46-19-9-12-24-54(46)69-56(47)36-40)39-26-30-43(31-27-39)68-51-22-10-7-18-45(51)48-34-35-53-59(60(48)68)49-20-8-11-23-52(49)67(53)42-16-5-2-6-17-42/h1-37,63H,(H,64,65,66).
What are the key properties of 12-[4-[6-dibenzofuran-3-yl-2-(9-phenyldibenzofuran-3-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-5-phenylindolo[3,2-c]carbazole?
12-[4-[6-dibenzofuran-3-yl-2-(9-phenyldibenzofuran-3-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-5-phenylindolo[3,2-c]carbazole has a molecular weight of 898.04 g/mol, XLogP of 15.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-[6-dibenzofuran-3-yl-2-(9-phenyldibenzofuran-3-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-5-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 162363400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).