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

C57H36N4 — CID 167032034

IUPAC5-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-2-phenylbenzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cc(-n5c6ccc(-c7ccccc7)cc6c6cc7ccccc7cc65)c5ccccc5c4)n3)cc2)cc1
InChIInChI=1S/C57H36N4/c1-3-13-37(14-4-1)40-23-26-41(27-24-40)55-58-56(47-28-25-39-17-7-8-18-42(39)31-47)60-57(59-55)48-32-46-21-11-12-22-49(46)53(36-48)61-52-30-29-45(38-15-5-2-6-16-38)34-50(52)51-33-43-19-9-10-20-44(43)35-54(51)61/h1-36H
InChIKeyRRQFYMKOSFPIBO-UHFFFAOYSA-N
MW776.94 g/mol
LogP14.76
Rot. Bonds6

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

5-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-2-phenylbenzo[b]carbazole (PubChem CID 167032034) has the molecular formula C57H36N4 and a molecular weight of 776.94 g/mol. Its IUPAC name is 5-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-2-phenylbenzo[b]carbazole.

Molecular Properties

Compound Name5-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-2-phenylbenzo[b]carbazole
PubChem CID167032034
Molecular FormulaC57H36N4
Molecular Weight776.94 g/mol
Exact Mass776.29
IUPAC Name5-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-2-phenylbenzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cc(-n5c6ccc(-c7ccccc7)cc6c6cc7ccccc7cc65)c5ccccc5c4)n3)cc2)cc1
InChIInChI=1S/C57H36N4/c1-3-13-37(14-4-1)40-23-26-41(27-24-40)55-58-56(47-28-25-39-17-7-8-18-42(39)31-47)60-57(59-55)48-32-46-21-11-12-22-49(46)53(36-48)61-52-30-29-45(38-15-5-2-6-16-38)34-50(52)51-33-43-19-9-10-20-44(43)35-54(51)61/h1-36H
InChIKeyRRQFYMKOSFPIBO-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

9-[3-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole
CID 167032255
5-[4-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzo[b]carbazole
CID 167032394
7-[3-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[c]carbazole
CID 167031981
5-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 139362121
9-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole
CID 166915433
9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole
CID 166915426
12-[4-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]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 166917528
5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621318
16-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-1-yl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 138654354
9-phenanthren-9-yl-6-phenyl-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 155087360
5-[3-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 134603571
9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-phenylcarbazole;9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-phenylcarbazole
CID 162150262

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-2-phenylbenzo[b]carbazole?
The IUPAC name of 5-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-2-phenylbenzo[b]carbazole (CID 167032034) is 5-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-2-phenylbenzo[b]carbazole.
What is the SMILES notation for 5-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-2-phenylbenzo[b]carbazole?
The canonical SMILES for 5-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-2-phenylbenzo[b]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cc(-n5c6ccc(-c7ccccc7)cc6c6cc7ccccc7cc65)c5ccccc5c4)n3)cc2)cc1.
What is the InChIKey of 5-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-2-phenylbenzo[b]carbazole?
The InChIKey is RRQFYMKOSFPIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4/c1-3-13-37(14-4-1)40-23-26-41(27-24-40)55-58-56(47-28-25-39-17-7-8-18-42(39)31-47)60-57(59-55)48-32-46-21-11-12-22-49(46)53(36-48)61-52-30-29-45(38-15-5-2-6-16-38)34-50(52)51-33-43-19-9-10-20-44(43)35-54(51)61/h1-36H.
What are the key properties of 5-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-2-phenylbenzo[b]carbazole?
5-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-2-phenylbenzo[b]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 5-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-2-phenylbenzo[b]carbazole is sourced from PubChem (CID 167032034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).