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

C57H35N5 — CID 146621965

IUPAC5-[1-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4nc(-c5cccc6ccccc56)nc(-c5c(-n6c7ccccc7c7cc8ccccc8cc76)ccc6ccccc56)n4)c32)cc1
InChIInChI=1S/C57H35N5/c1-2-21-40(22-3-1)61-49-30-12-10-25-43(49)45-27-15-29-47(54(45)61)56-58-55(46-28-14-20-36-16-6-8-23-41(36)46)59-57(60-56)53-42-24-9-7-17-37(42)32-33-51(53)62-50-31-13-11-26-44(50)48-34-38-18-4-5-19-39(38)35-52(48)62/h1-35H
InChIKeyXBDHBYSMKYYMOG-UHFFFAOYSA-N
MW789.94 g/mol
LogP14.53
Rot. Bonds5

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

5-[1-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole (PubChem CID 146621965) has the molecular formula C57H35N5 and a molecular weight of 789.94 g/mol. Its IUPAC name is 5-[1-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[1-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole
PubChem CID146621965
Molecular FormulaC57H35N5
Molecular Weight789.94 g/mol
Exact Mass789.29
IUPAC Name5-[1-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4nc(-c5cccc6ccccc56)nc(-c5c(-n6c7ccccc7c7cc8ccccc8cc76)ccc6ccccc56)n4)c32)cc1
InChIInChI=1S/C57H35N5/c1-2-21-40(22-3-1)61-49-30-12-10-25-43(49)45-27-15-29-47(54(45)61)56-58-55(46-28-14-20-36-16-6-8-23-41(36)46)59-57(60-56)53-42-24-9-7-17-37(42)32-33-51(53)62-50-31-13-11-26-44(50)48-34-38-18-4-5-19-39(38)35-52(48)62/h1-35H
InChIKeyXBDHBYSMKYYMOG-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-[1-[4-naphthalen-1-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole
CID 146621162
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
12-[1-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-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 164714868
5-[1-[4-naphthalen-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole
CID 146621349
5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 134603586
5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621065
8-benzo[a]carbazol-11-yl-5-[1-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 155477044
9-carbazol-9-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 155477477
5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166700020
5-[1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole
CID 166916820
11-[4,6-bis(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole
CID 166512002
9-benzo[a]carbazol-11-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole;9-benzo[a]carbazol-11-yl-5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole;11-benzo[a]carbazol-11-yl-5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 157209849

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole?
The IUPAC name of 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) is 5-[1-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[1-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole?
The canonical SMILES for 5-[1-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole is c1ccc(-n2c3ccccc3c3cccc(-c4nc(-c5cccc6ccccc56)nc(-c5c(-n6c7ccccc7c7cc8ccccc8cc76)ccc6ccccc56)n4)c32)cc1.
What is the InChIKey of 5-[1-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole?
The InChIKey is XBDHBYSMKYYMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5/c1-2-21-40(22-3-1)61-49-30-12-10-25-43(49)45-27-15-29-47(54(45)61)56-58-55(46-28-14-20-36-16-6-8-23-41(36)46)59-57(60-56)53-42-24-9-7-17-37(42)32-33-51(53)62-50-31-13-11-26-44(50)48-34-38-18-4-5-19-39(38)35-52(48)62/h1-35H.
What are the key properties of 5-[1-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole?
5-[1-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-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-[1-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole is sourced from PubChem (CID 146621965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).