9-naphthalen-1-yl-7-[3-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[c]carbazole

C57H36N4 — CID 167031844

IUPAC9-naphthalen-1-yl-7-[3-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[c]carbazole
SMILESc1ccc(-c2ccc3cc(-c4nc(-c5ccccc5)nc(-c5cccc(-n6c7cc(-c8cccc9ccccc89)ccc7c7c8ccccc8ccc76)c5)n4)ccc3c2)cc1
InChIInChI=1S/C57H36N4/c1-3-13-37(14-4-1)41-25-26-43-34-46(28-27-42(43)33-41)57-59-55(40-17-5-2-6-18-40)58-56(60-57)45-20-11-21-47(35-45)61-52-32-30-39-16-8-10-23-50(39)54(52)51-31-29-44(36-53(51)61)49-24-12-19-38-15-7-9-22-48(38)49/h1-36H
InChIKeyNYEKXDBBNSQRJP-UHFFFAOYSA-N
MW776.94 g/mol
LogP14.76
Rot. Bonds6

About 9-naphthalen-1-yl-7-[3-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[c]carbazole

9-naphthalen-1-yl-7-[3-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[c]carbazole (PubChem CID 167031844) has the molecular formula C57H36N4 and a molecular weight of 776.94 g/mol. Its IUPAC name is 9-naphthalen-1-yl-7-[3-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[c]carbazole.

Molecular Properties

Compound Name9-naphthalen-1-yl-7-[3-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[c]carbazole
PubChem CID167031844
Molecular FormulaC57H36N4
Molecular Weight776.94 g/mol
Exact Mass776.29
IUPAC Name9-naphthalen-1-yl-7-[3-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[c]carbazole
SMILESc1ccc(-c2ccc3cc(-c4nc(-c5ccccc5)nc(-c5cccc(-n6c7cc(-c8cccc9ccccc89)ccc7c7c8ccccc8ccc76)c5)n4)ccc3c2)cc1
InChIInChI=1S/C57H36N4/c1-3-13-37(14-4-1)41-25-26-43-34-46(28-27-42(43)33-41)57-59-55(40-17-5-2-6-18-40)58-56(60-57)45-20-11-21-47(35-45)61-52-32-30-39-16-8-10-23-50(39)54(52)51-31-29-44(36-53(51)61)49-24-12-19-38-15-7-9-22-48(38)49/h1-36H
InChIKeyNYEKXDBBNSQRJP-UHFFFAOYSA-N
XLogP14.76
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.94
LogP ≤ 514.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 130351461
12-[3-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 166916101
12-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 166916168
12-[3-[4-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 166916096
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(9-phenylcarbazol-2-yl)benzo[c]carbazole
CID 130351579
9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole;9-[4-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 159765258
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(7-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 130351208
7-[3-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]carbazole
CID 166915910
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenanthren-3-ylbenzo[c]carbazole
CID 131979656
3-(6-naphthalen-1-ylnaphthalen-2-yl)-7-phenylbenzo[c]carbazole
CID 130351343
7-[4-[3-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]carbazole
CID 166916612
2-(6-naphthalen-1-ylnaphthalen-2-yl)-7-phenylbenzo[c]carbazole
CID 130351342

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-1-yl-7-[3-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[c]carbazole?
The IUPAC name of 9-naphthalen-1-yl-7-[3-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[c]carbazole (CID 167031844) is 9-naphthalen-1-yl-7-[3-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[c]carbazole.
What is the SMILES notation for 9-naphthalen-1-yl-7-[3-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[c]carbazole?
The canonical SMILES for 9-naphthalen-1-yl-7-[3-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[c]carbazole is c1ccc(-c2ccc3cc(-c4nc(-c5ccccc5)nc(-c5cccc(-n6c7cc(-c8cccc9ccccc89)ccc7c7c8ccccc8ccc76)c5)n4)ccc3c2)cc1.
What is the InChIKey of 9-naphthalen-1-yl-7-[3-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[c]carbazole?
The InChIKey is NYEKXDBBNSQRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4/c1-3-13-37(14-4-1)41-25-26-43-34-46(28-27-42(43)33-41)57-59-55(40-17-5-2-6-18-40)58-56(60-57)45-20-11-21-47(35-45)61-52-32-30-39-16-8-10-23-50(39)54(52)51-31-29-44(36-53(51)61)49-24-12-19-38-15-7-9-22-48(38)49/h1-36H.
What are the key properties of 9-naphthalen-1-yl-7-[3-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[c]carbazole?
9-naphthalen-1-yl-7-[3-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[c]carbazole has a molecular weight of 776.94 g/mol, XLogP of 14.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-1-yl-7-[3-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[c]carbazole is sourced from PubChem (CID 167031844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).