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

C45H29N5 — CID 121306370

IUPAC2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)n2)cc1
InChIInChI=1S/C45H29N5/c1-4-14-30(15-5-1)43-46-44(31-16-6-2-7-17-31)48-45(47-43)32-24-27-41-38(28-32)36-21-11-13-23-40(36)50(41)34-25-26-37-35-20-10-12-22-39(35)49(42(37)29-34)33-18-8-3-9-19-33/h1-29H
InChIKeyRHNQZWOJALCZQJ-UHFFFAOYSA-N
MW639.76 g/mol
LogP11.07
Rot. Bonds5

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

2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole (PubChem CID 121306370) has the molecular formula C45H29N5 and a molecular weight of 639.76 g/mol. Its IUPAC name is 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole
PubChem CID121306370
Molecular FormulaC45H29N5
Molecular Weight639.76 g/mol
Exact Mass639.24
IUPAC Name2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)n2)cc1
InChIInChI=1S/C45H29N5/c1-4-14-30(15-5-1)43-46-44(31-16-6-2-7-17-31)48-45(47-43)32-24-27-41-38(28-32)36-21-11-13-23-40(36)50(41)34-25-26-37-35-20-10-12-22-39(35)49(42(37)29-34)33-18-8-3-9-19-33/h1-29H
InChIKeyRHNQZWOJALCZQJ-UHFFFAOYSA-N
XLogP11.07
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.76
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-carbazol-9-yl-9-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 153459439
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole
CID 70934602
2-carbazol-9-yl-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164807814
3-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole;3-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole;3-[9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole
CID 158366423
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(9-phenylcarbazol-3-yl)carbazole
CID 121475607
9-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-carbazol-9-yl-7-(3,6-diphenylcarbazol-9-yl)carbazole
CID 88878767
3,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-phenylcarbazol-2-yl)carbazole
CID 122431757
3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole
CID 90211376
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[4-(2-phenylcarbazol-9-yl)phenyl]carbazole
CID 88878713
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
2,7-di(carbazol-9-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 146179701
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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole?
The IUPAC name of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole (CID 121306370) is 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole.
What is the SMILES notation for 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole?
The canonical SMILES for 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)n2)cc1.
What is the InChIKey of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole?
The InChIKey is RHNQZWOJALCZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N5/c1-4-14-30(15-5-1)43-46-44(31-16-6-2-7-17-31)48-45(47-43)32-24-27-41-38(28-32)36-21-11-13-23-40(36)50(41)34-25-26-37-35-20-10-12-22-39(35)49(42(37)29-34)33-18-8-3-9-19-33/h1-29H.
What are the key properties of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole?
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole has a molecular weight of 639.76 g/mol, XLogP of 11.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole is sourced from PubChem (CID 121306370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).