5-[5-[4-naphthalen-2-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole

C57H35N5 — CID 146621297

IUPAC5-[5-[4-naphthalen-2-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5cccc6c(-n7c8ccccc8c8cc9ccccc9cc87)cccc56)n4)c32)cc1
InChIInChI=1S/C57H35N5/c1-2-19-41(20-3-1)61-50-28-10-8-21-44(50)46-25-13-27-48(54(46)61)57-59-55(40-32-31-36-15-4-5-16-37(36)33-40)58-56(60-57)47-26-12-24-43-42(47)23-14-30-52(43)62-51-29-11-9-22-45(51)49-34-38-17-6-7-18-39(38)35-53(49)62/h1-35H
InChIKeyYLFFOSVEJSMWKO-UHFFFAOYSA-N
MW789.94 g/mol
LogP14.53
Rot. Bonds5

About 5-[5-[4-naphthalen-2-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole

5-[5-[4-naphthalen-2-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole (PubChem CID 146621297) has the molecular formula C57H35N5 and a molecular weight of 789.94 g/mol. Its IUPAC name is 5-[5-[4-naphthalen-2-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[5-[4-naphthalen-2-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
PubChem CID146621297
Molecular FormulaC57H35N5
Molecular Weight789.94 g/mol
Exact Mass789.29
IUPAC Name5-[5-[4-naphthalen-2-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5cccc6c(-n7c8ccccc8c8cc9ccccc9cc87)cccc56)n4)c32)cc1
InChIInChI=1S/C57H35N5/c1-2-19-41(20-3-1)61-50-28-10-8-21-44(50)46-25-13-27-48(54(46)61)57-59-55(40-32-31-36-15-4-5-16-37(36)33-40)58-56(60-57)47-26-12-24-43-42(47)23-14-30-52(43)62-51-29-11-9-22-45(51)49-34-38-17-6-7-18-39(38)35-53(49)62/h1-35H
InChIKeyYLFFOSVEJSMWKO-UHFFFAOYSA-N
XLogP14.53
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.94
LogP ≤ 514.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621065
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-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
1-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole
CID 168807703
5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole;5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole;5-[4-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 161196328
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-(9-phenylcarbazol-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621588
5-[5-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146621153
5-[4-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146621268
1-[2-[2-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]-9-phenylcarbazole
CID 166037123
12-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 166915654
5-[2-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621947

Frequently Asked Questions

What is the IUPAC name of 5-[5-[4-naphthalen-2-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole?
The IUPAC name of 5-[5-[4-naphthalen-2-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole (CID 146621297) is 5-[5-[4-naphthalen-2-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[5-[4-naphthalen-2-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole?
The canonical SMILES for 5-[5-[4-naphthalen-2-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole is c1ccc(-n2c3ccccc3c3cccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5cccc6c(-n7c8ccccc8c8cc9ccccc9cc87)cccc56)n4)c32)cc1.
What is the InChIKey of 5-[5-[4-naphthalen-2-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole?
The InChIKey is YLFFOSVEJSMWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5/c1-2-19-41(20-3-1)61-50-28-10-8-21-44(50)46-25-13-27-48(54(46)61)57-59-55(40-32-31-36-15-4-5-16-37(36)33-40)58-56(60-57)47-26-12-24-43-42(47)23-14-30-52(43)62-51-29-11-9-22-45(51)49-34-38-17-6-7-18-39(38)35-53(49)62/h1-35H.
What are the key properties of 5-[5-[4-naphthalen-2-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole?
5-[5-[4-naphthalen-2-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole has a molecular weight of 789.94 g/mol, XLogP of 14.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[4-naphthalen-2-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole is sourced from PubChem (CID 146621297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).