3-[2-[2-[4-[5-(4-naphthalen-1-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole

C60H40N4 — CID 59501486

IUPAC3-[2-[2-[4-[5-(4-naphthalen-1-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)nnc2-c2ccc(-c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C60H40N4/c1-3-18-47(19-4-1)63-57-29-14-13-27-55(57)56-40-46(38-39-58(56)63)52-24-10-12-26-54(52)53-25-11-9-23-51(53)43-32-36-45(37-33-43)60-62-61-59(64(60)48-20-5-2-6-21-48)44-34-30-42(31-35-44)50-28-15-17-41-16-7-8-22-49(41)50/h1-40H
InChIKeyVQPGQXMRXIKTHY-UHFFFAOYSA-N
MW817.01 g/mol
LogP15.52
Rot. Bonds8

About 3-[2-[2-[4-[5-(4-naphthalen-1-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole

3-[2-[2-[4-[5-(4-naphthalen-1-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole (PubChem CID 59501486) has the molecular formula C60H40N4 and a molecular weight of 817.01 g/mol. Its IUPAC name is 3-[2-[2-[4-[5-(4-naphthalen-1-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[2-[2-[4-[5-(4-naphthalen-1-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole
PubChem CID59501486
Molecular FormulaC60H40N4
Molecular Weight817.01 g/mol
Exact Mass816.33
IUPAC Name3-[2-[2-[4-[5-(4-naphthalen-1-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)nnc2-c2ccc(-c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C60H40N4/c1-3-18-47(19-4-1)63-57-29-14-13-27-55(57)56-40-46(38-39-58(56)63)52-24-10-12-26-54(52)53-25-11-9-23-51(53)43-32-36-45(37-33-43)60-62-61-59(64(60)48-20-5-2-6-21-48)44-34-30-42(31-35-44)50-28-15-17-41-16-7-8-22-49(41)50/h1-40H
InChIKeyVQPGQXMRXIKTHY-UHFFFAOYSA-N
XLogP15.52
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.01
LogP ≤ 515.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-naphthalen-1-yl-9-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 126764169
9-[4-[2-[2-[4-(5-naphthalen-2-yl-4-phenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501538
3-[9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 159770105
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(7,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-6-naphthalen-1-yl-9-phenylcarbazole
CID 157256815
3-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404981
3-[2-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764137
3-[2-[2-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenyl]phenyl]-6-naphthalen-1-yl-9-phenylcarbazole
CID 59501290
9-[4-[4-phenyl-5-(2-phenylphenyl)-1,2,4-triazol-3-yl]phenyl]carbazole
CID 59845028
2-[4-[2-[2-[6-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59228335
3-[9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 159858070
3,9-bis(4-naphthalen-1-ylphenyl)carbazole;3-(4-naphthalen-1-ylphenyl)-9-(3-phenylphenyl)carbazole
CID 157309871
3-naphthalen-1-yl-9-[3-(3-phenylcarbazol-9-yl)phenyl]carbazole
CID 58084668

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[4-[5-(4-naphthalen-1-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole?
The IUPAC name of 3-[2-[2-[4-[5-(4-naphthalen-1-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole (CID 59501486) is 3-[2-[2-[4-[5-(4-naphthalen-1-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[2-[2-[4-[5-(4-naphthalen-1-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[2-[2-[4-[5-(4-naphthalen-1-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole is c1ccc(-n2c(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)nnc2-c2ccc(-c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of 3-[2-[2-[4-[5-(4-naphthalen-1-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole?
The InChIKey is VQPGQXMRXIKTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N4/c1-3-18-47(19-4-1)63-57-29-14-13-27-55(57)56-40-46(38-39-58(56)63)52-24-10-12-26-54(52)53-25-11-9-23-51(53)43-32-36-45(37-33-43)60-62-61-59(64(60)48-20-5-2-6-21-48)44-34-30-42(31-35-44)50-28-15-17-41-16-7-8-22-49(41)50/h1-40H.
What are the key properties of 3-[2-[2-[4-[5-(4-naphthalen-1-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole?
3-[2-[2-[4-[5-(4-naphthalen-1-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole has a molecular weight of 817.01 g/mol, XLogP of 15.52, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[4-[5-(4-naphthalen-1-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 59501486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).