3-(9-tert-butylcarbazol-3-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole

C49H37N5 — CID 118133161

IUPAC3-(9-tert-butylcarbazol-3-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESCC(C)(C)n1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc21
InChIInChI=1S/C49H37N5/c1-49(2,3)54-44-24-13-11-22-39(44)41-31-35(26-28-45(41)54)34-25-27-43-40(30-34)38-21-10-12-23-42(38)53(43)37-20-14-19-36(29-37)48-51-46(32-15-6-4-7-16-32)50-47(52-48)33-17-8-5-9-18-33/h4-31H,1-3H3
InChIKeyACOQMNHVDXEDRB-UHFFFAOYSA-N
MW695.87 g/mol
LogP12.50
Rot. Bonds5

About 3-(9-tert-butylcarbazol-3-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole

3-(9-tert-butylcarbazol-3-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 118133161) has the molecular formula C49H37N5 and a molecular weight of 695.87 g/mol. Its IUPAC name is 3-(9-tert-butylcarbazol-3-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-(9-tert-butylcarbazol-3-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
PubChem CID118133161
Molecular FormulaC49H37N5
Molecular Weight695.87 g/mol
Exact Mass695.30
IUPAC Name3-(9-tert-butylcarbazol-3-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESCC(C)(C)n1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc21
InChIInChI=1S/C49H37N5/c1-49(2,3)54-44-24-13-11-22-39(44)41-31-35(26-28-45(41)54)34-25-27-43-40(30-34)38-21-10-12-23-42(38)53(43)37-20-14-19-36(29-37)48-51-46(32-15-6-4-7-16-32)50-47(52-48)33-17-8-5-9-18-33/h4-31H,1-3H3
InChIKeyACOQMNHVDXEDRB-UHFFFAOYSA-N
XLogP12.50
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.87
LogP ≤ 512.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 58511626
3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 158317836
3-(3-carbazol-9-ylphenyl)-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 58943700
3-phenyl-9-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 174243912
3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole
CID 90211376
2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 71287197
3-(9-phenylcarbazol-3-yl)-9-[3-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 134236877
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-triphenylen-2-ylphenyl)carbazole
CID 145322224
3,6-diphenyl-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 153302022
3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole;3-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole
CID 158365808
9-[3-[4-[3-(3-carbazol-9-ylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 118901387
9-[3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 153208818

Frequently Asked Questions

What is the IUPAC name of 3-(9-tert-butylcarbazol-3-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The IUPAC name of 3-(9-tert-butylcarbazol-3-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (CID 118133161) is 3-(9-tert-butylcarbazol-3-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.
What is the SMILES notation for 3-(9-tert-butylcarbazol-3-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The canonical SMILES for 3-(9-tert-butylcarbazol-3-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is CC(C)(C)n1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc21.
What is the InChIKey of 3-(9-tert-butylcarbazol-3-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The InChIKey is ACOQMNHVDXEDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H37N5/c1-49(2,3)54-44-24-13-11-22-39(44)41-31-35(26-28-45(41)54)34-25-27-43-40(30-34)38-21-10-12-23-42(38)53(43)37-20-14-19-36(29-37)48-51-46(32-15-6-4-7-16-32)50-47(52-48)33-17-8-5-9-18-33/h4-31H,1-3H3.
What are the key properties of 3-(9-tert-butylcarbazol-3-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
3-(9-tert-butylcarbazol-3-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole has a molecular weight of 695.87 g/mol, XLogP of 12.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-tert-butylcarbazol-3-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 118133161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).