2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole

C47H36N4O — CID 153413086

IUPAC2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole
SMILESCC(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cc(-c6c(-c7ccccc7)cccc6-c6ccccc6)cn5)c4)cc32)c1
InChIInChI=1S/C47H36N4O/c1-32(2)35-25-26-48-46(27-35)51-44-22-10-9-19-42(44)43-24-23-39(29-45(43)51)52-38-18-11-17-37(28-38)50-31-36(30-49-50)47-40(33-13-5-3-6-14-33)20-12-21-41(47)34-15-7-4-8-16-34/h3-32H,1-2H3
InChIKeyNUCNLZKMLIXPAD-UHFFFAOYSA-N
MW672.83 g/mol
LogP12.28
Rot. Bonds8

About 2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole

2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole (PubChem CID 153413086) has the molecular formula C47H36N4O and a molecular weight of 672.83 g/mol. Its IUPAC name is 2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole
PubChem CID153413086
Molecular FormulaC47H36N4O
Molecular Weight672.83 g/mol
Exact Mass672.29
IUPAC Name2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole
SMILESCC(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cc(-c6c(-c7ccccc7)cccc6-c6ccccc6)cn5)c4)cc32)c1
InChIInChI=1S/C47H36N4O/c1-32(2)35-25-26-48-46(27-35)51-44-22-10-9-19-42(44)43-24-23-39(29-45(43)51)52-38-18-11-17-37(28-38)50-31-36(30-49-50)47-40(33-13-5-3-6-14-33)20-12-21-41(47)34-15-7-4-8-16-34/h3-32H,1-2H3
InChIKeyNUCNLZKMLIXPAD-UHFFFAOYSA-N
XLogP12.28
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.83
LogP ≤ 512.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[4-(4-methyl-2,6-diphenylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 153414664
1-N,1-N,3-N,3-N,5-pentamethyl-2-[1-[3-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]benzene-1,3-diamine
CID 153414866
2-[3-[4-(4-ethylsulfanyl-2,6-dimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 153414910
2-[3-[4-[2-methyl-6-(2-methylbutyl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 153414886
9-(4-methyl-2-pyridinyl)-2-[3-[4-(3,4,5-trimethyl-2,6-diphenoxyphenyl)pyrazol-1-yl]phenoxy]carbazole
CID 153413901
9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-yl]-5-isocyanophenoxy]carbazole
CID 155623145
1-N,1-N,3-N,3-N,4,6-hexamethyl-2-[1-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]benzene-1,3-diamine
CID 153413011
9-[4-(2-methylpropyl)-2-pyridinyl]-2-[3-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole
CID 153414468
1-N,1-N,3-N,3-N-tetramethyl-2-[1-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]benzene-1,3-diamine
CID 153414281
9-(4-methyl-2-pyridinyl)-2-[3-[4-[3,4,5-triethyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]phenoxy]carbazole
CID 153413645
2-[3-[3-(2,6-diphenylphenyl)-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 171610282
9-(4-methyl-2-pyridinyl)-2-[3-[4-(2,3,4,5,6-pentaethylphenyl)pyrazol-1-yl]phenoxy]carbazole
CID 153413547

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole?
The IUPAC name of 2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole (CID 153413086) is 2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole.
What is the SMILES notation for 2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole?
The canonical SMILES for 2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole is CC(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cc(-c6c(-c7ccccc7)cccc6-c6ccccc6)cn5)c4)cc32)c1.
What is the InChIKey of 2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole?
The InChIKey is NUCNLZKMLIXPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H36N4O/c1-32(2)35-25-26-48-46(27-35)51-44-22-10-9-19-42(44)43-24-23-39(29-45(43)51)52-38-18-11-17-37(28-38)50-31-36(30-49-50)47-40(33-13-5-3-6-14-33)20-12-21-41(47)34-15-7-4-8-16-34/h3-32H,1-2H3.
What are the key properties of 2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole?
2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole has a molecular weight of 672.83 g/mol, XLogP of 12.28, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole is sourced from PubChem (CID 153413086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).