9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazol-9-yl]-3,5-dimethyl-4-pyridinyl]-1,3,6,8-tetramethylcarbazole

C46H41N5O — CID 171769468

IUPAC9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazol-9-yl]-3,5-dimethyl-4-pyridinyl]-1,3,6,8-tetramethylcarbazole
SMILESCc1cc(C)c2c(c1)c1cc(C)cc(C)c1n2-c1c(C)cnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5nc(C)cc5C)c4)cc32)c1C
InChIInChI=1S/C46H41N5O/c1-26-18-28(3)44-39(20-26)40-21-27(2)19-29(4)45(40)50(44)43-30(5)25-47-46(33(43)8)49-41-15-10-9-14-37(41)38-17-16-36(24-42(38)49)52-35-13-11-12-34(23-35)51-32(7)22-31(6)48-51/h9-25H,1-8H3
InChIKeyWMYGTLRMAWENSR-UHFFFAOYSA-N
MW679.87 g/mol
LogP11.72
Rot. Bonds5

About 9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazol-9-yl]-3,5-dimethyl-4-pyridinyl]-1,3,6,8-tetramethylcarbazole

9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazol-9-yl]-3,5-dimethyl-4-pyridinyl]-1,3,6,8-tetramethylcarbazole (PubChem CID 171769468) has the molecular formula C46H41N5O and a molecular weight of 679.87 g/mol. Its IUPAC name is 9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazol-9-yl]-3,5-dimethyl-4-pyridinyl]-1,3,6,8-tetramethylcarbazole.

Molecular Properties

Compound Name9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazol-9-yl]-3,5-dimethyl-4-pyridinyl]-1,3,6,8-tetramethylcarbazole
PubChem CID171769468
Molecular FormulaC46H41N5O
Molecular Weight679.87 g/mol
Exact Mass679.33
IUPAC Name9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazol-9-yl]-3,5-dimethyl-4-pyridinyl]-1,3,6,8-tetramethylcarbazole
SMILESCc1cc(C)c2c(c1)c1cc(C)cc(C)c1n2-c1c(C)cnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5nc(C)cc5C)c4)cc32)c1C
InChIInChI=1S/C46H41N5O/c1-26-18-28(3)44-39(20-26)40-21-27(2)19-29(4)45(40)50(44)43-30(5)25-47-46(33(43)8)49-41-15-10-9-14-37(41)38-17-16-36(24-42(38)49)52-35-13-11-12-34(23-35)51-32(7)22-31(6)48-51/h9-25H,1-8H3
InChIKeyWMYGTLRMAWENSR-UHFFFAOYSA-N
XLogP11.72
TPSA49.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.87
LogP ≤ 511.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-pyrimidin-2-ylcarbazole
CID 86344157
9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazol-9-yl]-3-methyl-4-pyridinyl]-1,8-diethylcarbazole
CID 171769142
9-[2-[2-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-3,5-dimethyl-4-pyridinyl]-1,3,6,8-tetramethylcarbazole;platinum(2+)
CID 171769277
2-[2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazol-9-yl]-N,N-dimethylpyridin-4-amine;platinum
CID 158641122
2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 140729932
2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole;platinum(2+)
CID 159758959
2-[3-(3,5-dimethylpyrazol-1-yl)-5-isocyanophenoxy]-9-pyridin-2-ylcarbazole
CID 155622974
[1-[3-(6-methyl-9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-3-(2,4,6-trimethylphenyl)benzimidazol-2-ylidene]platinum
CID 176871184
9-pyridin-2-yl-2-[3-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole
CID 140958316
[5-methyl-1-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-3-(2,4,6-trimethylphenyl)benzimidazol-2-ylidene]platinum
CID 176871172
2-[3-(3,5-dimethyl-4-pyridin-2-ylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 140729894
1,8-ditert-butyl-9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)-5-methylphenoxy]-6-methylcarbazol-9-yl]-4-pyridinyl]carbazole
CID 171769413

Frequently Asked Questions

What is the IUPAC name of 9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazol-9-yl]-3,5-dimethyl-4-pyridinyl]-1,3,6,8-tetramethylcarbazole?
The IUPAC name of 9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazol-9-yl]-3,5-dimethyl-4-pyridinyl]-1,3,6,8-tetramethylcarbazole (CID 171769468) is 9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazol-9-yl]-3,5-dimethyl-4-pyridinyl]-1,3,6,8-tetramethylcarbazole.
What is the SMILES notation for 9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazol-9-yl]-3,5-dimethyl-4-pyridinyl]-1,3,6,8-tetramethylcarbazole?
The canonical SMILES for 9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazol-9-yl]-3,5-dimethyl-4-pyridinyl]-1,3,6,8-tetramethylcarbazole is Cc1cc(C)c2c(c1)c1cc(C)cc(C)c1n2-c1c(C)cnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5nc(C)cc5C)c4)cc32)c1C.
What is the InChIKey of 9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazol-9-yl]-3,5-dimethyl-4-pyridinyl]-1,3,6,8-tetramethylcarbazole?
The InChIKey is WMYGTLRMAWENSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H41N5O/c1-26-18-28(3)44-39(20-26)40-21-27(2)19-29(4)45(40)50(44)43-30(5)25-47-46(33(43)8)49-41-15-10-9-14-37(41)38-17-16-36(24-42(38)49)52-35-13-11-12-34(23-35)51-32(7)22-31(6)48-51/h9-25H,1-8H3.
What are the key properties of 9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazol-9-yl]-3,5-dimethyl-4-pyridinyl]-1,3,6,8-tetramethylcarbazole?
9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazol-9-yl]-3,5-dimethyl-4-pyridinyl]-1,3,6,8-tetramethylcarbazole has a molecular weight of 679.87 g/mol, XLogP of 11.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazol-9-yl]-3,5-dimethyl-4-pyridinyl]-1,3,6,8-tetramethylcarbazole is sourced from PubChem (CID 171769468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).