5-[9-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole

C60H40N4O2 — CID 166914549

IUPAC5-[9-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5oc6cccc(-c7c(C8N=C(c9ccccc9)N=C(c9ccccc9)N8)ccc8c7oc7ccccc78)c6c5c4)c3cc21
InChIInChI=1S/C60H40N4O2/c1-60(2)47-24-12-9-20-38(47)44-33-45-39-21-10-13-25-49(39)64(50(45)34-48(44)60)37-28-31-52-46(32-37)54-42(23-15-27-53(54)65-52)55-43(30-29-41-40-22-11-14-26-51(40)66-56(41)55)59-62-57(35-16-5-3-6-17-35)61-58(63-59)36-18-7-4-8-19-36/h3-34,59H,1-2H3,(H,61,62,63)
InChIKeyUPKHRBOLVPLOJS-UHFFFAOYSA-N
MW849.01 g/mol
LogP15.05
Rot. Bonds5

About 5-[9-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole

5-[9-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole (PubChem CID 166914549) has the molecular formula C60H40N4O2 and a molecular weight of 849.01 g/mol. Its IUPAC name is 5-[9-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-[9-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
PubChem CID166914549
Molecular FormulaC60H40N4O2
Molecular Weight849.01 g/mol
Exact Mass848.32
IUPAC Name5-[9-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5oc6cccc(-c7c(C8N=C(c9ccccc9)N=C(c9ccccc9)N8)ccc8c7oc7ccccc78)c6c5c4)c3cc21
InChIInChI=1S/C60H40N4O2/c1-60(2)47-24-12-9-20-38(47)44-33-45-39-21-10-13-25-49(39)64(50(45)34-48(44)60)37-28-31-52-46(32-37)54-42(23-15-27-53(54)65-52)55-43(30-29-41-40-22-11-14-26-51(40)66-56(41)55)59-62-57(35-16-5-3-6-17-35)61-58(63-59)36-18-7-4-8-19-36/h3-34,59H,1-2H3,(H,61,62,63)
InChIKeyUPKHRBOLVPLOJS-UHFFFAOYSA-N
XLogP15.05
TPSA67.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.01
LogP ≤ 515.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[9-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole with MolForge

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Related Compounds

9-[9-(2-dibenzofuran-4-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-2-phenylcarbazole
CID 166961520
5-[9-[2-cyclohexa-1,5-dien-1-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]-11,11-dimethylindeno[1,2-b]carbazole
CID 170282863
9-[8-[8-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-1-yl]dibenzofuran-2-yl]carbazole
CID 166962098
7,7-dimethyl-5-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole
CID 134498087
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
11,19-bis[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-15,15-dimethyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 130231160
9-[7-(2-dibenzofuran-4-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-3-phenylcarbazole
CID 146395683
5-(8-carbazol-9-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 89472024
19,19-dimethyl-15-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-11-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene
CID 147587189
5-[6-dibenzofuran-1-yl-7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]-12,12-dimethylindeno[1,2-c]carbazole
CID 156574729
5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 90057439
9-[16-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-11-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaen-6-yl]carbazole
CID 146664722

Frequently Asked Questions

What is the IUPAC name of 5-[9-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The IUPAC name of 5-[9-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole (CID 166914549) is 5-[9-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole.
What is the SMILES notation for 5-[9-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The canonical SMILES for 5-[9-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5oc6cccc(-c7c(C8N=C(c9ccccc9)N=C(c9ccccc9)N8)ccc8c7oc7ccccc78)c6c5c4)c3cc21.
What is the InChIKey of 5-[9-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The InChIKey is UPKHRBOLVPLOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N4O2/c1-60(2)47-24-12-9-20-38(47)44-33-45-39-21-10-13-25-49(39)64(50(45)34-48(44)60)37-28-31-52-46(32-37)54-42(23-15-27-53(54)65-52)55-43(30-29-41-40-22-11-14-26-51(40)66-56(41)55)59-62-57(35-16-5-3-6-17-35)61-58(63-59)36-18-7-4-8-19-36/h3-34,59H,1-2H3,(H,61,62,63).
What are the key properties of 5-[9-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?
5-[9-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole has a molecular weight of 849.01 g/mol, XLogP of 15.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole is sourced from PubChem (CID 166914549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).