11-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole

C43H28N4 — CID 135245189

IUPAC11-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3ccc(-n4c5ccccc5c5ccc6ccccc6c54)cc3)n2)cc1
InChIInChI=1S/C43H28N4/c1-3-14-31(15-4-1)41-44-42(32-16-5-2-6-17-32)46-43(45-41)38-21-10-9-18-34(38)30-23-26-33(27-24-30)47-39-22-12-11-20-36(39)37-28-25-29-13-7-8-19-35(29)40(37)47/h1-28H
InChIKeyMJMWMNSCHMHWBW-UHFFFAOYSA-N
MW600.73 g/mol
LogP10.79
Rot. Bonds5

About 11-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole

11-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole (PubChem CID 135245189) has the molecular formula C43H28N4 and a molecular weight of 600.73 g/mol. Its IUPAC name is 11-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole.

Molecular Properties

Compound Name11-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole
PubChem CID135245189
Molecular FormulaC43H28N4
Molecular Weight600.73 g/mol
Exact Mass600.23
IUPAC Name11-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3ccc(-n4c5ccccc5c5ccc6ccccc6c54)cc3)n2)cc1
InChIInChI=1S/C43H28N4/c1-3-14-31(15-4-1)41-44-42(32-16-5-2-6-17-32)46-43(45-41)38-21-10-9-18-34(38)30-23-26-33(27-24-30)47-39-22-12-11-20-36(39)37-28-25-29-13-7-8-19-35(29)40(37)47/h1-28H
InChIKeyMJMWMNSCHMHWBW-UHFFFAOYSA-N
XLogP10.79
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.73
LogP ≤ 510.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-carbazol-9-yl-11-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole
CID 170055208
11-[4-(4-fluoranthen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]carbazole
CID 170109509
9-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 23527808
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylcarbazole
CID 146491445
9-[4-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 122425258
11-[4-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole
CID 167032232
11-[4-(4-chrysen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]carbazole
CID 170109348
11-[3-[2-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[a]carbazole
CID 167031915
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 169036930
11-phenyl-12-[2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 169014688
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 169037564
12-(2-phenylphenyl)-18-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 162701890

Frequently Asked Questions

What is the IUPAC name of 11-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole?
The IUPAC name of 11-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole (CID 135245189) is 11-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole.
What is the SMILES notation for 11-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole?
The canonical SMILES for 11-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3ccc(-n4c5ccccc5c5ccc6ccccc6c54)cc3)n2)cc1.
What is the InChIKey of 11-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole?
The InChIKey is MJMWMNSCHMHWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N4/c1-3-14-31(15-4-1)41-44-42(32-16-5-2-6-17-32)46-43(45-41)38-21-10-9-18-34(38)30-23-26-33(27-24-30)47-39-22-12-11-20-36(39)37-28-25-29-13-7-8-19-35(29)40(37)47/h1-28H.
What are the key properties of 11-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole?
11-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole has a molecular weight of 600.73 g/mol, XLogP of 10.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole is sourced from PubChem (CID 135245189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).