10-[1-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]pyrazol-4-yl]phenoxazine

C38H25N5O2 — CID 140730449

IUPAC10-[1-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]pyrazol-4-yl]phenoxazine
SMILESc1ccc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cc(N6c7ccccc7Oc7ccccc76)cn5)c4)cc32)nc1
InChIInChI=1S/C38H25N5O2/c1-2-13-32-30(12-1)31-20-19-29(23-35(31)43(32)38-18-7-8-21-39-38)44-28-11-9-10-26(22-28)41-25-27(24-40-41)42-33-14-3-5-16-36(33)45-37-17-6-4-15-34(37)42/h1-25H
InChIKeyXVHQRFXTKQKDBP-UHFFFAOYSA-N
MW583.65 g/mol
LogP9.73
Rot. Bonds5

About 10-[1-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]pyrazol-4-yl]phenoxazine

10-[1-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]pyrazol-4-yl]phenoxazine (PubChem CID 140730449) has the molecular formula C38H25N5O2 and a molecular weight of 583.65 g/mol. Its IUPAC name is 10-[1-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]pyrazol-4-yl]phenoxazine.

Molecular Properties

Compound Name10-[1-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]pyrazol-4-yl]phenoxazine
PubChem CID140730449
Molecular FormulaC38H25N5O2
Molecular Weight583.65 g/mol
Exact Mass583.20
IUPAC Name10-[1-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]pyrazol-4-yl]phenoxazine
SMILESc1ccc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cc(N6c7ccccc7Oc7ccccc76)cn5)c4)cc32)nc1
InChIInChI=1S/C38H25N5O2/c1-2-13-32-30(12-1)31-20-19-29(23-35(31)43(32)38-18-7-8-21-39-38)44-28-11-9-10-26(22-28)41-25-27(24-40-41)42-33-14-3-5-16-36(33)45-37-17-6-4-15-34(37)42/h1-25H
InChIKeyXVHQRFXTKQKDBP-UHFFFAOYSA-N
XLogP9.73
TPSA57.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.65
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-pyrazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole
CID 140794986
2-[3-(4-phenyltriazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 170654817
10-[3-(4-carbazol-9-ylpyrazol-1-yl)phenyl]-2-pyridin-2-ylphenoxazine
CID 140731061
2-(3-indazol-2-ylphenoxy)-9-pyridin-2-ylcarbazole
CID 140730409
9-(9-pyridin-2-ylcarbazol-2-yl)oxy-13-oxa-2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7(12),8,10,14,16-octaene
CID 164734193
22-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-20,22-diazahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8,10,12,14,16,18,23,25-dodecaene
CID 176821515
9-pyridin-2-yl-2-[3-(5-pyridin-3-ylpyrazol-1-yl)phenoxy]carbazole
CID 140729993
2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]selenopheno[3,2-c]pyrazole
CID 140731336
2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 160515373
10-[2-[2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]phenoxy]carbazol-9-yl]-4-pyridinyl]phenoxazine
CID 166052959
2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,3-oxazole
CID 141495117
9-pyridin-2-yl-2-[3-(3,5,6-trimethyl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 155606671

Frequently Asked Questions

What is the IUPAC name of 10-[1-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]pyrazol-4-yl]phenoxazine?
The IUPAC name of 10-[1-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]pyrazol-4-yl]phenoxazine (CID 140730449) is 10-[1-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]pyrazol-4-yl]phenoxazine.
What is the SMILES notation for 10-[1-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]pyrazol-4-yl]phenoxazine?
The canonical SMILES for 10-[1-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]pyrazol-4-yl]phenoxazine is c1ccc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cc(N6c7ccccc7Oc7ccccc76)cn5)c4)cc32)nc1.
What is the InChIKey of 10-[1-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]pyrazol-4-yl]phenoxazine?
The InChIKey is XVHQRFXTKQKDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N5O2/c1-2-13-32-30(12-1)31-20-19-29(23-35(31)43(32)38-18-7-8-21-39-38)44-28-11-9-10-26(22-28)41-25-27(24-40-41)42-33-14-3-5-16-36(33)45-37-17-6-4-15-34(37)42/h1-25H.
What are the key properties of 10-[1-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]pyrazol-4-yl]phenoxazine?
10-[1-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]pyrazol-4-yl]phenoxazine has a molecular weight of 583.65 g/mol, XLogP of 9.73, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[1-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]pyrazol-4-yl]phenoxazine is sourced from PubChem (CID 140730449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).