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

C49H30N4 — CID 134603586

IUPAC5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4ccccc34)n2)c2ccccc12
InChIInChI=1S/C49H30N4/c1-2-16-34-30-46-43(29-33(34)15-1)39-23-9-10-26-44(39)53(46)45-28-27-42(37-21-7-8-22-38(37)45)49-51-47(40-24-11-17-31-13-3-5-19-35(31)40)50-48(52-49)41-25-12-18-32-14-4-6-20-36(32)41/h1-30H
InChIKeyAWWPHLFGZBUICW-UHFFFAOYSA-N
MW674.81 g/mol
LogP12.58
Rot. Bonds4

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

5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole (PubChem CID 134603586) has the molecular formula C49H30N4 and a molecular weight of 674.81 g/mol. Its IUPAC name is 5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
PubChem CID134603586
Molecular FormulaC49H30N4
Molecular Weight674.81 g/mol
Exact Mass674.25
IUPAC Name5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4ccccc34)n2)c2ccccc12
InChIInChI=1S/C49H30N4/c1-2-16-34-30-46-43(29-33(34)15-1)39-23-9-10-26-44(39)53(46)45-28-27-42(37-21-7-8-22-38(37)45)49-51-47(40-24-11-17-31-13-3-5-19-35(31)40)50-48(52-49)41-25-12-18-32-14-4-6-20-36(32)41/h1-30H
InChIKeyAWWPHLFGZBUICW-UHFFFAOYSA-N
XLogP12.58
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.81
LogP ≤ 512.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 134603616
5-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-phenylbenzo[b]carbazole;5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 157483368
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenylnaphthalen-1-yl]benzo[b]carbazole
CID 155450400
5-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;5-[5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 158002184
9-benzo[b]carbazol-5-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;10-benzo[b]carbazol-5-yl-5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 158803382
5-[4-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146621268
5-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 134603713
11-carbazol-9-yl-5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 155477254
5-[1-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole
CID 146621965
5-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-6-(3-phenylphenyl)naphthalen-1-yl]benzo[b]carbazole
CID 155450393
5-[4-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146621069
5-[4-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146621951

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole?
The IUPAC name of 5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole (CID 134603586) is 5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole?
The canonical SMILES for 5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4ccccc34)n2)c2ccccc12.
What is the InChIKey of 5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole?
The InChIKey is AWWPHLFGZBUICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N4/c1-2-16-34-30-46-43(29-33(34)15-1)39-23-9-10-26-44(39)53(46)45-28-27-42(37-21-7-8-22-38(37)45)49-51-47(40-24-11-17-31-13-3-5-19-35(31)40)50-48(52-49)41-25-12-18-32-14-4-6-20-36(32)41/h1-30H.
What are the key properties of 5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole?
5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole has a molecular weight of 674.81 g/mol, XLogP of 12.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole is sourced from PubChem (CID 134603586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).