6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]furo[2,3-c]carbazole

C35H22N4O — CID 123283036

IUPAC6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]furo[2,3-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6ccoc6ccc54)cc3)n2)cc1
InChIInChI=1S/C35H22N4O/c1-3-9-23(10-4-1)33-36-34(24-11-5-2-6-12-24)38-35(37-33)25-15-17-26(18-16-25)39-29-14-8-7-13-27(29)32-28-21-22-40-31(28)20-19-30(32)39/h1-22H
InChIKeyWYEFUGNYRGCUHP-UHFFFAOYSA-N
MW514.59 g/mol
LogP8.72
Rot. Bonds4

About 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]furo[2,3-c]carbazole

6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]furo[2,3-c]carbazole (PubChem CID 123283036) has the molecular formula C35H22N4O and a molecular weight of 514.59 g/mol. Its IUPAC name is 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]furo[2,3-c]carbazole.

Molecular Properties

Compound Name6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]furo[2,3-c]carbazole
PubChem CID123283036
Molecular FormulaC35H22N4O
Molecular Weight514.59 g/mol
Exact Mass514.18
IUPAC Name6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]furo[2,3-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6ccoc6ccc54)cc3)n2)cc1
InChIInChI=1S/C35H22N4O/c1-3-9-23(10-4-1)33-36-34(24-11-5-2-6-12-24)38-35(37-33)25-15-17-26(18-16-25)39-29-14-8-7-13-27(29)32-28-21-22-40-31(28)20-19-30(32)39/h1-22H
InChIKeyWYEFUGNYRGCUHP-UHFFFAOYSA-N
XLogP8.72
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.59
LogP ≤ 58.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-(4-phenylphenyl)-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 140937273
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]furo[2,3-b]carbazole
CID 123506912
6-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]furo[3,2-c]carbazole
CID 118229476
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 139481059
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
9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14-phenyl-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 139496806
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126628160
25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-26-phenyl-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
CID 163606277
9,18,27-tris[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 135227811
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,7-diazaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8,10,12,16,19,21,23(30),24,26,28-tetradecaene
CID 134276183
9-[4-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14-phenyl-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 169014536

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]furo[2,3-c]carbazole?
The IUPAC name of 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]furo[2,3-c]carbazole (CID 123283036) is 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]furo[2,3-c]carbazole.
What is the SMILES notation for 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]furo[2,3-c]carbazole?
The canonical SMILES for 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]furo[2,3-c]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6ccoc6ccc54)cc3)n2)cc1.
What is the InChIKey of 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]furo[2,3-c]carbazole?
The InChIKey is WYEFUGNYRGCUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N4O/c1-3-9-23(10-4-1)33-36-34(24-11-5-2-6-12-24)38-35(37-33)25-15-17-26(18-16-25)39-29-14-8-7-13-27(29)32-28-21-22-40-31(28)20-19-30(32)39/h1-22H.
What are the key properties of 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]furo[2,3-c]carbazole?
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]furo[2,3-c]carbazole has a molecular weight of 514.59 g/mol, XLogP of 8.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]furo[2,3-c]carbazole is sourced from PubChem (CID 123283036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).