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

C53H45N5 — CID 134597649

IUPAC1-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-3-carbazol-9-yl-9-phenylcarbazole
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c5ccccc5n(-c5ccccc5)c34)n2)cc1
InChIInChI=1S/C53H45N5/c1-52(2,3)36-28-24-34(25-29-36)49-54-50(35-26-30-37(31-27-35)53(4,5)6)56-51(55-49)44-33-39(57-45-21-13-10-18-40(45)41-19-11-14-22-46(41)57)32-43-42-20-12-15-23-47(42)58(48(43)44)38-16-8-7-9-17-38/h7-33H,1-6H3
InChIKeyUEQOGVSRNHTKNK-UHFFFAOYSA-N
MW751.98 g/mol
LogP13.66
Rot. Bonds5

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

1-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-3-carbazol-9-yl-9-phenylcarbazole (PubChem CID 134597649) has the molecular formula C53H45N5 and a molecular weight of 751.98 g/mol. Its IUPAC name is 1-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-3-carbazol-9-yl-9-phenylcarbazole.

Molecular Properties

Compound Name1-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-3-carbazol-9-yl-9-phenylcarbazole
PubChem CID134597649
Molecular FormulaC53H45N5
Molecular Weight751.98 g/mol
Exact Mass751.37
IUPAC Name1-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-3-carbazol-9-yl-9-phenylcarbazole
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c5ccccc5n(-c5ccccc5)c34)n2)cc1
InChIInChI=1S/C53H45N5/c1-52(2,3)36-28-24-34(25-29-36)49-54-50(35-26-30-37(31-27-35)53(4,5)6)56-51(55-49)44-33-39(57-45-21-13-10-18-40(45)41-19-11-14-22-46(41)57)32-43-42-20-12-15-23-47(42)58(48(43)44)38-16-8-7-9-17-38/h7-33H,1-6H3
InChIKeyUEQOGVSRNHTKNK-UHFFFAOYSA-N
XLogP13.66
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.98
LogP ≤ 513.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-7-phenylindolo[2,3-b]carbazole
CID 118504560
9-[4-(4-tert-butylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-carbazol-9-ylcarbazole
CID 118053607
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-carbazol-9-yl-9-phenyl-1-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 138705475
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-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 148633406
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-carbazol-9-yl-9-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 153459439
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
1,3-bis(3,6-ditert-butylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]carbazole
CID 158954992
9-[4-[5-(4-tert-butylphenyl)-3-phenyl-1,2,4-triazol-1-yl]phenyl]carbazole
CID 59500034
3-carbazol-9-yl-12-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 168729227

Frequently Asked Questions

What is the IUPAC name of 1-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-3-carbazol-9-yl-9-phenylcarbazole?
The IUPAC name of 1-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-3-carbazol-9-yl-9-phenylcarbazole (CID 134597649) is 1-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-3-carbazol-9-yl-9-phenylcarbazole.
What is the SMILES notation for 1-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-3-carbazol-9-yl-9-phenylcarbazole?
The canonical SMILES for 1-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-3-carbazol-9-yl-9-phenylcarbazole is CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c5ccccc5n(-c5ccccc5)c34)n2)cc1.
What is the InChIKey of 1-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-3-carbazol-9-yl-9-phenylcarbazole?
The InChIKey is UEQOGVSRNHTKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H45N5/c1-52(2,3)36-28-24-34(25-29-36)49-54-50(35-26-30-37(31-27-35)53(4,5)6)56-51(55-49)44-33-39(57-45-21-13-10-18-40(45)41-19-11-14-22-46(41)57)32-43-42-20-12-15-23-47(42)58(48(43)44)38-16-8-7-9-17-38/h7-33H,1-6H3.
What are the key properties of 1-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-3-carbazol-9-yl-9-phenylcarbazole?
1-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-3-carbazol-9-yl-9-phenylcarbazole has a molecular weight of 751.98 g/mol, XLogP of 13.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-3-carbazol-9-yl-9-phenylcarbazole is sourced from PubChem (CID 134597649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).