3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-ethylcarbazole

C41H29N5 — CID 58556574

IUPAC3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-ethylcarbazole
SMILESCCn1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C41H29N5/c1-2-45-35-19-11-9-17-31(35)33-25-29(21-23-36(33)45)30-22-24-38-34(26-30)32-18-10-12-20-37(32)46(38)41-43-39(27-13-5-3-6-14-27)42-40(44-41)28-15-7-4-8-16-28/h3-26H,2H2,1H3
InChIKeyQTDYOXBLLXCUFE-UHFFFAOYSA-N
MW591.72 g/mol
LogP10.10
Rot. Bonds5

About 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-ethylcarbazole

3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-ethylcarbazole (PubChem CID 58556574) has the molecular formula C41H29N5 and a molecular weight of 591.72 g/mol. Its IUPAC name is 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-ethylcarbazole.

Molecular Properties

Compound Name3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-ethylcarbazole
PubChem CID58556574
Molecular FormulaC41H29N5
Molecular Weight591.72 g/mol
Exact Mass591.24
IUPAC Name3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-ethylcarbazole
SMILESCCn1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C41H29N5/c1-2-45-35-19-11-9-17-31(35)33-25-29(21-23-36(33)45)30-22-24-38-34(26-30)32-18-10-12-20-37(32)46(38)41-43-39(27-13-5-3-6-14-27)42-40(44-41)28-15-7-4-8-16-28/h3-26H,2H2,1H3
InChIKeyQTDYOXBLLXCUFE-UHFFFAOYSA-N
XLogP10.10
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.72
LogP ≤ 510.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-ethylcarbazole;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-ethylcarbazole
CID 160897853
3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 146573165
3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 146573156
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(3-phenylcarbazol-9-yl)carbazole
CID 58556490
3-carbazol-9-yl-9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 146572883
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylcarbazole
CID 126580254
9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 146491413
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-bis[9-(4-methylphenyl)carbazol-3-yl]carbazole
CID 58556534
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 162483719
3,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-phenylcarbazol-2-yl)carbazole
CID 122431757
tris(3-phenylphenyl)-[3-[4-phenyl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]silane
CID 168836420
3,6-di(carbazol-9-yl)-9-[6-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole
CID 88878795

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-ethylcarbazole?
The IUPAC name of 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-ethylcarbazole (CID 58556574) is 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-ethylcarbazole.
What is the SMILES notation for 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-ethylcarbazole?
The canonical SMILES for 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-ethylcarbazole is CCn1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21.
What is the InChIKey of 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-ethylcarbazole?
The InChIKey is QTDYOXBLLXCUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N5/c1-2-45-35-19-11-9-17-31(35)33-25-29(21-23-36(33)45)30-22-24-38-34(26-30)32-18-10-12-20-37(32)46(38)41-43-39(27-13-5-3-6-14-27)42-40(44-41)28-15-7-4-8-16-28/h3-26H,2H2,1H3.
What are the key properties of 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-ethylcarbazole?
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-ethylcarbazole has a molecular weight of 591.72 g/mol, XLogP of 10.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-ethylcarbazole is sourced from PubChem (CID 58556574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).