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

C39H26N4 — CID 171438087

IUPAC1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,9-diphenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3c(-c4ccccc4)ccc4c5ccccc5n(-c5ccccc5)c34)n2)cc1
InChIInChI=1S/C39H26N4/c1-5-15-27(16-6-1)31-25-26-33-32-23-13-14-24-34(32)43(30-21-11-4-12-22-30)36(33)35(31)39-41-37(28-17-7-2-8-18-28)40-38(42-39)29-19-9-3-10-20-29/h1-26H
InChIKeyNDVZFIWEFIHWIG-UHFFFAOYSA-N
MW550.67 g/mol
LogP9.64
Rot. Bonds5

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

1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,9-diphenylcarbazole (PubChem CID 171438087) has the molecular formula C39H26N4 and a molecular weight of 550.67 g/mol. Its IUPAC name is 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,9-diphenylcarbazole.

Molecular Properties

Compound Name1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,9-diphenylcarbazole
PubChem CID171438087
Molecular FormulaC39H26N4
Molecular Weight550.67 g/mol
Exact Mass550.22
IUPAC Name1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,9-diphenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3c(-c4ccccc4)ccc4c5ccccc5n(-c5ccccc5)c34)n2)cc1
InChIInChI=1S/C39H26N4/c1-5-15-27(16-6-1)31-25-26-33-32-23-13-14-24-34(32)43(30-21-11-4-12-22-30)36(33)35(31)39-41-37(28-17-7-2-8-18-28)40-38(42-39)29-19-9-3-10-20-29/h1-26H
InChIKeyNDVZFIWEFIHWIG-UHFFFAOYSA-N
XLogP9.64
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.67
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-2,9-diphenylcarbazole
CID 90321464
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,12-diphenyl-[1]benzofuro[3,2-a]carbazole
CID 163503973
2,9-diphenyl-1-(9-phenylcarbazol-1-yl)carbazole
CID 90348691
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylcarbazole
CID 146491445
12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 156556541
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;ethane
CID 160718098
11-phenyl-12-[2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 169014688
6,31-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene
CID 88949841
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-diphenylphenyl]carbazole
CID 176765501
2-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-9-phenylcarbazole
CID 129099674
8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17-phenyl-8,17-diazahexacyclo[13.11.0.02,7.09,14.016,24.018,23]hexacosa-1(15),2,4,6,9,11,13,16(24),18,20,22,25-dodecaene
CID 118363438
3-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole
CID 146648747

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,9-diphenylcarbazole?
The IUPAC name of 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,9-diphenylcarbazole (CID 171438087) is 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,9-diphenylcarbazole.
What is the SMILES notation for 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,9-diphenylcarbazole?
The canonical SMILES for 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,9-diphenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3c(-c4ccccc4)ccc4c5ccccc5n(-c5ccccc5)c34)n2)cc1.
What is the InChIKey of 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,9-diphenylcarbazole?
The InChIKey is NDVZFIWEFIHWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N4/c1-5-15-27(16-6-1)31-25-26-33-32-23-13-14-24-34(32)43(30-21-11-4-12-22-30)36(33)35(31)39-41-37(28-17-7-2-8-18-28)40-38(42-39)29-19-9-3-10-20-29/h1-26H.
What are the key properties of 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,9-diphenylcarbazole?
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,9-diphenylcarbazole has a molecular weight of 550.67 g/mol, XLogP of 9.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,9-diphenylcarbazole is sourced from PubChem (CID 171438087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).