9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]carbazole

C43H32N4 — CID 121381891

IUPAC9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4ccc3CCc3ccc(c(-n5c6ccccc6c6ccccc65)c3)CC4)n2)cc1
InChIInChI=1S/C43H32N4/c1-3-11-33(12-4-1)41-44-42(34-13-5-2-6-14-34)46-43(45-41)37-27-29-19-23-31(37)24-20-30-22-26-32(25-21-29)40(28-30)47-38-17-9-7-15-35(38)36-16-8-10-18-39(36)47/h1-19,22-23,26-28H,20-21,24-25H2
InChIKeyOVVQEGURPWOTRM-UHFFFAOYSA-N
MW604.76 g/mol
LogP9.85
Rot. Bonds4

About 9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]carbazole

9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]carbazole (PubChem CID 121381891) has the molecular formula C43H32N4 and a molecular weight of 604.76 g/mol. Its IUPAC name is 9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]carbazole.

Molecular Properties

Compound Name9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]carbazole
PubChem CID121381891
Molecular FormulaC43H32N4
Molecular Weight604.76 g/mol
Exact Mass604.26
IUPAC Name9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4ccc3CCc3ccc(c(-n5c6ccccc6c6ccccc65)c3)CC4)n2)cc1
InChIInChI=1S/C43H32N4/c1-3-11-33(12-4-1)41-44-42(34-13-5-2-6-14-34)46-43(45-41)37-27-29-19-23-31(37)24-20-30-22-26-32(25-21-29)40(28-30)47-38-17-9-7-15-35(38)36-16-8-10-18-39(36)47/h1-19,22-23,26-28H,20-21,24-25H2
InChIKeyOVVQEGURPWOTRM-UHFFFAOYSA-N
XLogP9.85
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.76
LogP ≤ 59.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]carbazole with MolForge

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Related Compounds

9-[4-carbazol-9-yl-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 146472254
9-[5-carbazol-9-yl-2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 135131262
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 137421138
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-diphenylphenyl]carbazole
CID 140903092
boranuide;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 158893462
9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 170244460
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 170111574
9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 167032295
9-[3-carbazol-9-yl-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 142508176
9-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 121401452
9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylcarbazole
CID 167032287
9-[2,4-di(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 121401483

Frequently Asked Questions

What is the IUPAC name of 9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]carbazole?
The IUPAC name of 9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]carbazole (CID 121381891) is 9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]carbazole.
What is the SMILES notation for 9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]carbazole?
The canonical SMILES for 9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4ccc3CCc3ccc(c(-n5c6ccccc6c6ccccc65)c3)CC4)n2)cc1.
What is the InChIKey of 9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]carbazole?
The InChIKey is OVVQEGURPWOTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N4/c1-3-11-33(12-4-1)41-44-42(34-13-5-2-6-14-34)46-43(45-41)37-27-29-19-23-31(37)24-20-30-22-26-32(25-21-29)40(28-30)47-38-17-9-7-15-35(38)36-16-8-10-18-39(36)47/h1-19,22-23,26-28H,20-21,24-25H2.
What are the key properties of 9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]carbazole?
9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]carbazole has a molecular weight of 604.76 g/mol, XLogP of 9.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]carbazole is sourced from PubChem (CID 121381891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).