9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane;9-methylcarbazole

C62H81N5 — CID 160749853

IUPAC9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane;9-methylcarbazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.Cn1c2ccccc2c2ccccc21.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C33H22N4.C13H11N.8C2H6/c1-3-11-23(12-4-1)31-34-32(24-13-5-2-6-14-24)36-33(35-31)25-19-21-26(22-20-25)37-29-17-9-7-15-27(29)28-16-8-10-18-30(28)37;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;8*1-2/h1-22H;2-9H,1H3;8*1-2H3
InChIKeyRWRAXQYRDUPGJD-UHFFFAOYSA-N
MW896.36 g/mol
LogP19.51
Rot. Bonds4

About 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane;9-methylcarbazole

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane;9-methylcarbazole (PubChem CID 160749853) has the molecular formula C62H81N5 and a molecular weight of 896.36 g/mol. Its IUPAC name is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane;9-methylcarbazole.

Molecular Properties

Compound Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane;9-methylcarbazole
PubChem CID160749853
Molecular FormulaC62H81N5
Molecular Weight896.36 g/mol
Exact Mass895.65
IUPAC Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane;9-methylcarbazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.Cn1c2ccccc2c2ccccc21.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C33H22N4.C13H11N.8C2H6/c1-3-11-23(12-4-1)31-34-32(24-13-5-2-6-14-24)36-33(35-31)25-19-21-26(22-20-25)37-29-17-9-7-15-27(29)28-16-8-10-18-30(28)37;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;8*1-2/h1-22H;2-9H,1H3;8*1-2H3
InChIKeyRWRAXQYRDUPGJD-UHFFFAOYSA-N
XLogP19.51
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.36
LogP ≤ 519.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 122425259
9-[4-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 59779621
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole
CID 139481204
3-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 148633406
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 162055470
3-carbazol-9-yl-9-[4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 130353815
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole
CID 70934602
3-carbazol-9-yl-9-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]carbazole
CID 90211361
22-[4-[4,6-bis[4-(5,15,29,39-tetraphenyl-5,15,22,29,39-pentazaundecacyclo[21.18.0.02,21.04,19.06,18.08,16.09,14.025,40.026,38.028,36.030,35]hentetraconta-1(41),2,4(19),6(18),7,9,11,13,16,20,23,25(40),26(38),27,30,32,34,36-octadecaen-22-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-5,15,29,39-tetraphenyl-5,15,22,29,39-pentazaundecacyclo[21.18.0.02,21.04,19.06,18.08,16.09,14.025,40.026,38.028,36.030,35]hentetraconta-1(41),2,4(19),6(18),7,9,11,13,16,20,23,25(40),26(38),27,30,32,34,36-octadecaene
CID 88949847
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-[4-(4-bromophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 142751576
9-[4-[4-(4-carbazol-9-ylphenyl)-6-methyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 126564639

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane;9-methylcarbazole?
The IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane;9-methylcarbazole (CID 160749853) is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane;9-methylcarbazole.
What is the SMILES notation for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane;9-methylcarbazole?
The canonical SMILES for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane;9-methylcarbazole is CC.CC.CC.CC.CC.CC.CC.CC.Cn1c2ccccc2c2ccccc21.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1.
What is the InChIKey of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane;9-methylcarbazole?
The InChIKey is RWRAXQYRDUPGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N4.C13H11N.8C2H6/c1-3-11-23(12-4-1)31-34-32(24-13-5-2-6-14-24)36-33(35-31)25-19-21-26(22-20-25)37-29-17-9-7-15-27(29)28-16-8-10-18-30(28)37;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;8*1-2/h1-22H;2-9H,1H3;8*1-2H3.
What are the key properties of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane;9-methylcarbazole?
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane;9-methylcarbazole has a molecular weight of 896.36 g/mol, XLogP of 19.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane;9-methylcarbazole is sourced from PubChem (CID 160749853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).