10-pyrazolo[1,5-f]phenanthridin-10-yloxy-12-pyridin-2-yl-[1]benzofuro[3,2-a]carbazole

C38H22N4O2 — CID 140955412

IUPAC10-pyrazolo[1,5-f]phenanthridin-10-yloxy-12-pyridin-2-yl-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc(-n2c3cc(Oc4ccc5c6ccccc6c6ccnn6c5c4)ccc3c3ccc4oc5ccccc5c4c32)nc1
InChIInChI=1S/C38H22N4O2/c1-2-8-26-25(7-1)27-14-12-24(22-33(27)42-31(26)18-20-40-42)43-23-13-15-28-29-16-17-35-37(30-9-3-4-10-34(30)44-35)38(29)41(32(28)21-23)36-11-5-6-19-39-36/h1-22H
InChIKeyWSCVUCXTOSLGHL-UHFFFAOYSA-N
MW566.62 g/mol
LogP9.82
Rot. Bonds3

About 10-pyrazolo[1,5-f]phenanthridin-10-yloxy-12-pyridin-2-yl-[1]benzofuro[3,2-a]carbazole

10-pyrazolo[1,5-f]phenanthridin-10-yloxy-12-pyridin-2-yl-[1]benzofuro[3,2-a]carbazole (PubChem CID 140955412) has the molecular formula C38H22N4O2 and a molecular weight of 566.62 g/mol. Its IUPAC name is 10-pyrazolo[1,5-f]phenanthridin-10-yloxy-12-pyridin-2-yl-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

Compound Name10-pyrazolo[1,5-f]phenanthridin-10-yloxy-12-pyridin-2-yl-[1]benzofuro[3,2-a]carbazole
PubChem CID140955412
Molecular FormulaC38H22N4O2
Molecular Weight566.62 g/mol
Exact Mass566.17
IUPAC Name10-pyrazolo[1,5-f]phenanthridin-10-yloxy-12-pyridin-2-yl-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc(-n2c3cc(Oc4ccc5c6ccccc6c6ccnn6c5c4)ccc3c3ccc4oc5ccccc5c4c32)nc1
InChIInChI=1S/C38H22N4O2/c1-2-8-26-25(7-1)27-14-12-24(22-33(27)42-31(26)18-20-40-42)43-23-13-15-28-29-16-17-35-37(30-9-3-4-10-34(30)44-35)38(29)41(32(28)21-23)36-11-5-6-19-39-36/h1-22H
InChIKeyWSCVUCXTOSLGHL-UHFFFAOYSA-N
XLogP9.82
TPSA57.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.62
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6-(9-pyridin-2-ylcarbazol-2-yl)oxy-[1,2,4]triazolo[1,5-f]phenanthridine
CID 153411413
10-[9-[4-(1,8-dimethylcarbazol-9-yl)-2-pyridinyl]carbazol-2-yl]oxypyrazolo[1,5-f]phenanthridine
CID 171769293
CID 153429014
CID 153429014
1-N-[3-[[12-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[3,2-a]carbazol-10-yl]oxy]phenyl]-2-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine
CID 176782200
2-(3-pyrazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole
CID 140794986
9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 140948681
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
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
N-phenyl-N-[2-(9-pyridin-2-ylcarbazol-2-yl)oxydibenzofuran-4-yl]pyridin-2-amine
CID 153432020
6-dibenzofuran-2-yl-2-naphthalen-2-yl-9-pyridin-2-ylcarbazole
CID 163837269
2-[[5-(3-methyl-2H-imidazol-1-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl]oxy]-9-pyridin-2-ylcarbazole
CID 155650282
10-[3-(1-methylimidazol-2-yl)phenoxy]-12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazole
CID 140954347

Frequently Asked Questions

What is the IUPAC name of 10-pyrazolo[1,5-f]phenanthridin-10-yloxy-12-pyridin-2-yl-[1]benzofuro[3,2-a]carbazole?
The IUPAC name of 10-pyrazolo[1,5-f]phenanthridin-10-yloxy-12-pyridin-2-yl-[1]benzofuro[3,2-a]carbazole (CID 140955412) is 10-pyrazolo[1,5-f]phenanthridin-10-yloxy-12-pyridin-2-yl-[1]benzofuro[3,2-a]carbazole.
What is the SMILES notation for 10-pyrazolo[1,5-f]phenanthridin-10-yloxy-12-pyridin-2-yl-[1]benzofuro[3,2-a]carbazole?
The canonical SMILES for 10-pyrazolo[1,5-f]phenanthridin-10-yloxy-12-pyridin-2-yl-[1]benzofuro[3,2-a]carbazole is c1ccc(-n2c3cc(Oc4ccc5c6ccccc6c6ccnn6c5c4)ccc3c3ccc4oc5ccccc5c4c32)nc1.
What is the InChIKey of 10-pyrazolo[1,5-f]phenanthridin-10-yloxy-12-pyridin-2-yl-[1]benzofuro[3,2-a]carbazole?
The InChIKey is WSCVUCXTOSLGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4O2/c1-2-8-26-25(7-1)27-14-12-24(22-33(27)42-31(26)18-20-40-42)43-23-13-15-28-29-16-17-35-37(30-9-3-4-10-34(30)44-35)38(29)41(32(28)21-23)36-11-5-6-19-39-36/h1-22H.
What are the key properties of 10-pyrazolo[1,5-f]phenanthridin-10-yloxy-12-pyridin-2-yl-[1]benzofuro[3,2-a]carbazole?
10-pyrazolo[1,5-f]phenanthridin-10-yloxy-12-pyridin-2-yl-[1]benzofuro[3,2-a]carbazole has a molecular weight of 566.62 g/mol, XLogP of 9.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-pyrazolo[1,5-f]phenanthridin-10-yloxy-12-pyridin-2-yl-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 140955412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).