5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]benzo[b]carbazole

C53H34N4 — CID 155450728

IUPAC5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3cc(-c4ccccc4)c(-n4c5ccccc5c5cc6ccccc6cc54)c(-c4ccccc4)c3)nc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C53H34N4/c1-4-17-36(18-5-1)45-32-41(52-54-51(38-22-8-3-9-23-38)55-53(56-52)44-29-16-26-35-21-12-13-27-42(35)44)33-46(37-19-6-2-7-20-37)50(45)57-48-30-15-14-28-43(48)47-31-39-24-10-11-25-40(39)34-49(47)57/h1-34H
InChIKeyGFPXAVUVZSMWJG-UHFFFAOYSA-N
MW726.88 g/mol
LogP13.61
Rot. Bonds6

About 5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]benzo[b]carbazole

5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]benzo[b]carbazole (PubChem CID 155450728) has the molecular formula C53H34N4 and a molecular weight of 726.88 g/mol. Its IUPAC name is 5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]benzo[b]carbazole
PubChem CID155450728
Molecular FormulaC53H34N4
Molecular Weight726.88 g/mol
Exact Mass726.28
IUPAC Name5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3cc(-c4ccccc4)c(-n4c5ccccc5c5cc6ccccc6cc54)c(-c4ccccc4)c3)nc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C53H34N4/c1-4-17-36(18-5-1)45-32-41(52-54-51(38-22-8-3-9-23-38)55-53(56-52)44-29-16-26-35-21-12-13-27-42(35)44)33-46(37-19-6-2-7-20-37)50(45)57-48-30-15-14-28-43(48)47-31-39-24-10-11-25-40(39)34-49(47)57/h1-34H
InChIKeyGFPXAVUVZSMWJG-UHFFFAOYSA-N
XLogP13.61
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.88
LogP ≤ 513.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

12-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-6-(3-phenylphenyl)phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 155450531
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole
CID 170111581
5-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-6-(3-phenylphenyl)phenyl]benzo[b]carbazole
CID 155450024
5-[4-[4-[4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[b]carbazole;5-[4-[4-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[b]carbazole
CID 162025172
5-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 134603616
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenylnaphthalen-1-yl]benzo[b]carbazole
CID 155450400
11-benzo[b]carbazol-5-yl-5-[4-[4-naphthalen-1-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155476957
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 155450281
2-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole
CID 146280483
5-[4-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621053
5-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-4-yl]benzo[b]carbazole
CID 167347968
5-[2-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 170109616

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]benzo[b]carbazole?
The IUPAC name of 5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]benzo[b]carbazole (CID 155450728) is 5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]benzo[b]carbazole.
What is the SMILES notation for 5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]benzo[b]carbazole?
The canonical SMILES for 5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]benzo[b]carbazole is c1ccc(-c2nc(-c3cc(-c4ccccc4)c(-n4c5ccccc5c5cc6ccccc6cc54)c(-c4ccccc4)c3)nc(-c3cccc4ccccc34)n2)cc1.
What is the InChIKey of 5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]benzo[b]carbazole?
The InChIKey is GFPXAVUVZSMWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4/c1-4-17-36(18-5-1)45-32-41(52-54-51(38-22-8-3-9-23-38)55-53(56-52)44-29-16-26-35-21-12-13-27-42(35)44)33-46(37-19-6-2-7-20-37)50(45)57-48-30-15-14-28-43(48)47-31-39-24-10-11-25-40(39)34-49(47)57/h1-34H.
What are the key properties of 5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]benzo[b]carbazole?
5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]benzo[b]carbazole has a molecular weight of 726.88 g/mol, XLogP of 13.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]benzo[b]carbazole is sourced from PubChem (CID 155450728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).