3-[2-[2-[4-(5-naphthalen-1-yl-3-phenylpyrazol-1-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole

C55H37N3 — CID 59501273

IUPAC3-[2-[2-[4-(5-naphthalen-1-yl-3-phenylpyrazol-1-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3cccc4ccccc34)n(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C55H37N3/c1-3-17-40(18-4-1)52-37-55(49-28-15-19-38-16-7-8-23-45(38)49)58(56-52)43-33-30-39(31-34-43)44-22-9-11-25-47(44)48-26-12-10-24-46(48)41-32-35-54-51(36-41)50-27-13-14-29-53(50)57(54)42-20-5-2-6-21-42/h1-37H
InChIKeyMZNZKSRPHOGYIN-UHFFFAOYSA-N
MW739.92 g/mol
LogP14.46
Rot. Bonds7

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

3-[2-[2-[4-(5-naphthalen-1-yl-3-phenylpyrazol-1-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole (PubChem CID 59501273) has the molecular formula C55H37N3 and a molecular weight of 739.92 g/mol. Its IUPAC name is 3-[2-[2-[4-(5-naphthalen-1-yl-3-phenylpyrazol-1-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[2-[2-[4-(5-naphthalen-1-yl-3-phenylpyrazol-1-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole
PubChem CID59501273
Molecular FormulaC55H37N3
Molecular Weight739.92 g/mol
Exact Mass739.30
IUPAC Name3-[2-[2-[4-(5-naphthalen-1-yl-3-phenylpyrazol-1-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3cccc4ccccc34)n(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C55H37N3/c1-3-17-40(18-4-1)52-37-55(49-28-15-19-38-16-7-8-23-45(38)49)58(56-52)43-33-30-39(31-34-43)44-22-9-11-25-47(44)48-26-12-10-24-46(48)41-32-35-54-51(36-41)50-27-13-14-29-53(50)57(54)42-20-5-2-6-21-42/h1-37H
InChIKeyMZNZKSRPHOGYIN-UHFFFAOYSA-N
XLogP14.46
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.92
LogP ≤ 514.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-3,6-dinaphthalen-1-ylcarbazole
CID 59501166
9-[4-[2-[2-[4-[3-phenyl-5-(2-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501204
3-[2-[2-[4-[5-(4-tert-butylphenyl)-3-phenylpyrazol-1-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 59501207
3-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]-9-(2-phenylphenyl)carbazole
CID 59501236
9-[4-[2-[2-[4-[3,5-bis(4-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501257
3-naphthalen-1-yl-9-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 126764169
1-[4-[3-[2-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
CID 118149315
3-tert-butyl-9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501172
3-[2-[2-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenyl]phenyl]-6-naphthalen-1-yl-9-phenylcarbazole
CID 59501290
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-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404981
3-[2-[2-[4-[5-(4-naphthalen-1-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 59501486

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[4-(5-naphthalen-1-yl-3-phenylpyrazol-1-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole?
The IUPAC name of 3-[2-[2-[4-(5-naphthalen-1-yl-3-phenylpyrazol-1-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole (CID 59501273) is 3-[2-[2-[4-(5-naphthalen-1-yl-3-phenylpyrazol-1-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[2-[2-[4-(5-naphthalen-1-yl-3-phenylpyrazol-1-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[2-[2-[4-(5-naphthalen-1-yl-3-phenylpyrazol-1-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole is c1ccc(-c2cc(-c3cccc4ccccc34)n(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)n2)cc1.
What is the InChIKey of 3-[2-[2-[4-(5-naphthalen-1-yl-3-phenylpyrazol-1-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole?
The InChIKey is MZNZKSRPHOGYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N3/c1-3-17-40(18-4-1)52-37-55(49-28-15-19-38-16-7-8-23-45(38)49)58(56-52)43-33-30-39(31-34-43)44-22-9-11-25-47(44)48-26-12-10-24-46(48)41-32-35-54-51(36-41)50-27-13-14-29-53(50)57(54)42-20-5-2-6-21-42/h1-37H.
What are the key properties of 3-[2-[2-[4-(5-naphthalen-1-yl-3-phenylpyrazol-1-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole?
3-[2-[2-[4-(5-naphthalen-1-yl-3-phenylpyrazol-1-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole has a molecular weight of 739.92 g/mol, XLogP of 14.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[4-(5-naphthalen-1-yl-3-phenylpyrazol-1-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 59501273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).