10-[3-(4-carbazol-9-ylpyrazol-1-yl)phenyl]-2-pyrrol-1-ylphenoxazine

C37H25N5O — CID 153492594

IUPAC10-[3-(4-carbazol-9-ylpyrazol-1-yl)phenyl]-2-pyrrol-1-ylphenoxazine
SMILESc1cc(N2c3ccccc3Oc3ccc(-n4cccc4)cc32)cc(-n2cc(-n3c4ccccc4c4ccccc43)cn2)c1
InChIInChI=1S/C37H25N5O/c1-3-14-32-30(12-1)31-13-2-4-15-33(31)42(32)29-24-38-40(25-29)27-10-9-11-28(22-27)41-34-16-5-6-17-36(34)43-37-19-18-26(23-35(37)41)39-20-7-8-21-39/h1-25H
InChIKeyULCPOBPOMKBSPD-UHFFFAOYSA-N
MW555.64 g/mol
LogP9.34
Rot. Bonds4

About 10-[3-(4-carbazol-9-ylpyrazol-1-yl)phenyl]-2-pyrrol-1-ylphenoxazine

10-[3-(4-carbazol-9-ylpyrazol-1-yl)phenyl]-2-pyrrol-1-ylphenoxazine (PubChem CID 153492594) has the molecular formula C37H25N5O and a molecular weight of 555.64 g/mol. Its IUPAC name is 10-[3-(4-carbazol-9-ylpyrazol-1-yl)phenyl]-2-pyrrol-1-ylphenoxazine.

Molecular Properties

Compound Name10-[3-(4-carbazol-9-ylpyrazol-1-yl)phenyl]-2-pyrrol-1-ylphenoxazine
PubChem CID153492594
Molecular FormulaC37H25N5O
Molecular Weight555.64 g/mol
Exact Mass555.21
IUPAC Name10-[3-(4-carbazol-9-ylpyrazol-1-yl)phenyl]-2-pyrrol-1-ylphenoxazine
SMILESc1cc(N2c3ccccc3Oc3ccc(-n4cccc4)cc32)cc(-n2cc(-n3c4ccccc4c4ccccc43)cn2)c1
InChIInChI=1S/C37H25N5O/c1-3-14-32-30(12-1)31-13-2-4-15-33(31)42(32)29-24-38-40(25-29)27-10-9-11-28(22-27)41-34-16-5-6-17-36(34)43-37-19-18-26(23-35(37)41)39-20-7-8-21-39/h1-25H
InChIKeyULCPOBPOMKBSPD-UHFFFAOYSA-N
XLogP9.34
TPSA40.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.64
LogP ≤ 59.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

10-[3-(4-carbazol-9-ylpyrazol-1-yl)phenyl]-2-pyridin-2-ylphenoxazine
CID 140731061
2,8-di(carbazol-9-yl)-10-phenylphenoxazine
CID 126612244
10-[1-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]pyrazol-4-yl]phenoxazine
CID 140730449
10-[4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]phenoxazine
CID 59372053
10-(3-carbazol-9-yl-5-chlorophenyl)phenoxazine
CID 118605227
14-(6-phenoxazin-10-ylnaphthalen-2-yl)-10-pyridin-4-yl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 146213496
3-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)phenoxazine
CID 134475961
2-(4-carbazol-9-ylphenyl)-5-phenyl-[1,3]oxazolo[4,5-b]phenoxazine
CID 90201733
10-(4-phenoxazin-10-ylphenyl)-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 118442390
10-[3-(4-carbazol-9-ylpyrazol-1-yl)benzene-2-id-1-yl]-2-pyrazol-1-yl-1H-phenoxazin-1-ide;10-[3-(4-carbazol-9-ylpyrazol-1-yl)benzene-2-id-1-yl]-2-pyridin-2-yl-1H-phenoxazin-1-ide;2-(4-carbazol-9-ylpyrazol-1-yl)-10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide;tris(platinum(2+))
CID 159260208
10-(4-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]phenoxazine
CID 134475798
2-(4-carbazol-9-ylphenyl)-3,10-diphenylimidazo[4,5-b]phenoxazine
CID 90201700

Frequently Asked Questions

What is the IUPAC name of 10-[3-(4-carbazol-9-ylpyrazol-1-yl)phenyl]-2-pyrrol-1-ylphenoxazine?
The IUPAC name of 10-[3-(4-carbazol-9-ylpyrazol-1-yl)phenyl]-2-pyrrol-1-ylphenoxazine (CID 153492594) is 10-[3-(4-carbazol-9-ylpyrazol-1-yl)phenyl]-2-pyrrol-1-ylphenoxazine.
What is the SMILES notation for 10-[3-(4-carbazol-9-ylpyrazol-1-yl)phenyl]-2-pyrrol-1-ylphenoxazine?
The canonical SMILES for 10-[3-(4-carbazol-9-ylpyrazol-1-yl)phenyl]-2-pyrrol-1-ylphenoxazine is c1cc(N2c3ccccc3Oc3ccc(-n4cccc4)cc32)cc(-n2cc(-n3c4ccccc4c4ccccc43)cn2)c1.
What is the InChIKey of 10-[3-(4-carbazol-9-ylpyrazol-1-yl)phenyl]-2-pyrrol-1-ylphenoxazine?
The InChIKey is ULCPOBPOMKBSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25N5O/c1-3-14-32-30(12-1)31-13-2-4-15-33(31)42(32)29-24-38-40(25-29)27-10-9-11-28(22-27)41-34-16-5-6-17-36(34)43-37-19-18-26(23-35(37)41)39-20-7-8-21-39/h1-25H.
What are the key properties of 10-[3-(4-carbazol-9-ylpyrazol-1-yl)phenyl]-2-pyrrol-1-ylphenoxazine?
10-[3-(4-carbazol-9-ylpyrazol-1-yl)phenyl]-2-pyrrol-1-ylphenoxazine has a molecular weight of 555.64 g/mol, XLogP of 9.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(4-carbazol-9-ylpyrazol-1-yl)phenyl]-2-pyrrol-1-ylphenoxazine is sourced from PubChem (CID 153492594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).