12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,9,10,11-tetrahydro-[1]benzofuro[3,2-a]carbazole

C33H24N4O — CID 90055313

IUPAC12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,9,10,11-tetrahydro-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4c(c5ccc6oc7ccccc7c6c53)CCCC4)n2)cc1
InChIInChI=1S/C33H24N4O/c1-3-11-21(12-4-1)31-34-32(22-13-5-2-6-14-22)36-33(35-31)37-26-17-9-7-15-23(26)24-19-20-28-29(30(24)37)25-16-8-10-18-27(25)38-28/h1-6,8,10-14,16,18-20H,7,9,15,17H2
InChIKeyNDYGPWQYJUQENR-UHFFFAOYSA-N
MW492.58 g/mol
LogP7.93
Rot. Bonds3

About 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,9,10,11-tetrahydro-[1]benzofuro[3,2-a]carbazole

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,9,10,11-tetrahydro-[1]benzofuro[3,2-a]carbazole (PubChem CID 90055313) has the molecular formula C33H24N4O and a molecular weight of 492.58 g/mol. Its IUPAC name is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,9,10,11-tetrahydro-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

Compound Name12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,9,10,11-tetrahydro-[1]benzofuro[3,2-a]carbazole
PubChem CID90055313
Molecular FormulaC33H24N4O
Molecular Weight492.58 g/mol
Exact Mass492.20
IUPAC Name12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,9,10,11-tetrahydro-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4c(c5ccc6oc7ccccc7c6c53)CCCC4)n2)cc1
InChIInChI=1S/C33H24N4O/c1-3-11-21(12-4-1)31-34-32(22-13-5-2-6-14-22)36-33(35-31)37-26-17-9-7-15-23(26)24-19-20-28-29(30(24)37)25-16-8-10-18-27(25)38-28/h1-6,8,10-14,16,18-20H,7,9,15,17H2
InChIKeyNDYGPWQYJUQENR-UHFFFAOYSA-N
XLogP7.93
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.58
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,9,10,11-tetrahydro-[1]benzofuro[3,2-a]carbazole with MolForge

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Related Compounds

12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-a]carbazole
CID 176837422
12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
CID 129141729
12-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
CID 164954211
12-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-a]carbazole
CID 118888305
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzofuro[3,2-a]carbazole
CID 146976667
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene
CID 140957587
12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 166916089
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20)-heptaene
CID 90055339
19-dibenzofuran-1-yl-21-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 142571311
9-[4-(7-dibenzofuran-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358257
9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(3,5-diphenylphenyl)carbazole
CID 135144062
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-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,9,10,11-tetrahydro-[1]benzofuro[3,2-a]carbazole?
The IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,9,10,11-tetrahydro-[1]benzofuro[3,2-a]carbazole (CID 90055313) is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,9,10,11-tetrahydro-[1]benzofuro[3,2-a]carbazole.
What is the SMILES notation for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,9,10,11-tetrahydro-[1]benzofuro[3,2-a]carbazole?
The canonical SMILES for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,9,10,11-tetrahydro-[1]benzofuro[3,2-a]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4c(c5ccc6oc7ccccc7c6c53)CCCC4)n2)cc1.
What is the InChIKey of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,9,10,11-tetrahydro-[1]benzofuro[3,2-a]carbazole?
The InChIKey is NDYGPWQYJUQENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N4O/c1-3-11-21(12-4-1)31-34-32(22-13-5-2-6-14-22)36-33(35-31)37-26-17-9-7-15-23(26)24-19-20-28-29(30(24)37)25-16-8-10-18-27(25)38-28/h1-6,8,10-14,16,18-20H,7,9,15,17H2.
What are the key properties of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,9,10,11-tetrahydro-[1]benzofuro[3,2-a]carbazole?
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,9,10,11-tetrahydro-[1]benzofuro[3,2-a]carbazole has a molecular weight of 492.58 g/mol, XLogP of 7.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,9,10,11-tetrahydro-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 90055313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).