3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-isocyano-9-phenylcarbazole

C34H21N5 — CID 123235900

IUPAC3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-isocyano-9-phenylcarbazole
SMILES[C-]#[N+]c1ccc2c(c1)c1cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc1n2-c1ccccc1
InChIInChI=1S/C34H21N5/c1-35-26-18-20-31-29(22-26)28-21-25(17-19-30(28)39(31)27-15-9-4-10-16-27)34-37-32(23-11-5-2-6-12-23)36-33(38-34)24-13-7-3-8-14-24/h2-22H
InChIKeyNZPVSNPYTWMTCK-UHFFFAOYSA-N
MW499.58 g/mol
LogP8.52
Rot. Bonds4

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

3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-isocyano-9-phenylcarbazole (PubChem CID 123235900) has the molecular formula C34H21N5 and a molecular weight of 499.58 g/mol. Its IUPAC name is 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-isocyano-9-phenylcarbazole.

Molecular Properties

Compound Name3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-isocyano-9-phenylcarbazole
PubChem CID123235900
Molecular FormulaC34H21N5
Molecular Weight499.58 g/mol
Exact Mass499.18
IUPAC Name3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-isocyano-9-phenylcarbazole
SMILES[C-]#[N+]c1ccc2c(c1)c1cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc1n2-c1ccccc1
InChIInChI=1S/C34H21N5/c1-35-26-18-20-31-29(22-26)28-21-25(17-19-30(28)39(31)27-15-9-4-10-16-27)34-37-32(23-11-5-2-6-12-23)36-33(38-34)24-13-7-3-8-14-24/h2-22H
InChIKeyNZPVSNPYTWMTCK-UHFFFAOYSA-N
XLogP8.52
TPSA47.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.58
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

3-[9-[4-[4-(4-isocyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 123503758
3-[12-(4,6-diphenylpyrimidin-2-yl)chrysen-6-yl]-6-isocyano-9-phenylcarbazole;3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)chrysen-6-yl]-6-isocyano-9-phenylcarbazole
CID 158734297
3-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-6-phenylcarbazol-3-yl]-6,9-diphenylcarbazole
CID 88866650
3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-naphthalen-2-ylcarbazole
CID 123531469
5-[3-[4-(3-isocyanophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 166591978
3-(10-anthracen-9-ylanthracen-9-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-isocyanocarbazole
CID 123508714
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-(4-isocyanophenyl)-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 166592078
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-chrysen-6-ylphenyl)-6-isocyano-9-phenylcarbazole;3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)chrysen-6-yl]-6-isocyano-9-phenylcarbazole
CID 158623914
3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-6-isocyano-9-quinolin-2-ylcarbazole
CID 123192697
3-carbazol-9-yl-9-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 153459439
3,6-diphenyl-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 153302022

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-isocyano-9-phenylcarbazole?
The IUPAC name of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-isocyano-9-phenylcarbazole (CID 123235900) is 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-isocyano-9-phenylcarbazole.
What is the SMILES notation for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-isocyano-9-phenylcarbazole?
The canonical SMILES for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-isocyano-9-phenylcarbazole is [C-]#[N+]c1ccc2c(c1)c1cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc1n2-c1ccccc1.
What is the InChIKey of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-isocyano-9-phenylcarbazole?
The InChIKey is NZPVSNPYTWMTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21N5/c1-35-26-18-20-31-29(22-26)28-21-25(17-19-30(28)39(31)27-15-9-4-10-16-27)34-37-32(23-11-5-2-6-12-23)36-33(38-34)24-13-7-3-8-14-24/h2-22H.
What are the key properties of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-isocyano-9-phenylcarbazole?
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-isocyano-9-phenylcarbazole has a molecular weight of 499.58 g/mol, XLogP of 8.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-isocyano-9-phenylcarbazole is sourced from PubChem (CID 123235900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).