16-phenyl-5-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]oxy-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene

C43H32N4O — CID 118915711

IUPAC16-phenyl-5-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]oxy-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene
SMILESCC(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4ccc5c(c4)c4ncc6n4c4c(cc(-c7ccccc7)cc54)CC6)cc32)c1
InChIInChI=1S/C43H32N4O/c1-26(2)28-18-19-44-41(22-28)47-39-11-7-6-10-35(39)36-17-15-33(24-40(36)47)48-32-14-16-34-37-21-30(27-8-4-3-5-9-27)20-29-12-13-31-25-45-43(38(34)23-32)46(31)42(29)37/h3-11,14-26H,12-13H2,1-2H3
InChIKeyVIDONEBUTPIEGY-UHFFFAOYSA-N
MW620.76 g/mol
LogP10.81
Rot. Bonds5

About 16-phenyl-5-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]oxy-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene

16-phenyl-5-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]oxy-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene (PubChem CID 118915711) has the molecular formula C43H32N4O and a molecular weight of 620.76 g/mol. Its IUPAC name is 16-phenyl-5-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]oxy-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene.

Molecular Properties

Compound Name16-phenyl-5-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]oxy-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene
PubChem CID118915711
Molecular FormulaC43H32N4O
Molecular Weight620.76 g/mol
Exact Mass620.26
IUPAC Name16-phenyl-5-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]oxy-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene
SMILESCC(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4ccc5c(c4)c4ncc6n4c4c(cc(-c7ccccc7)cc54)CC6)cc32)c1
InChIInChI=1S/C43H32N4O/c1-26(2)28-18-19-44-41(22-28)47-39-11-7-6-10-35(39)36-17-15-33(24-40(36)47)48-32-14-16-34-37-21-30(27-8-4-3-5-9-27)20-29-12-13-31-25-45-43(38(34)23-32)46(31)42(29)37/h3-11,14-26H,12-13H2,1-2H3
InChIKeyVIDONEBUTPIEGY-UHFFFAOYSA-N
XLogP10.81
TPSA44.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.76
LogP ≤ 510.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 16-phenyl-5-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]oxy-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene with MolForge

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Related Compounds

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CID 156304149
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3-[3-(4-Methylpiperazin-1-yl)cyclobutyl]-1-(4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
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6-[[5-[4-(Trifluoromethoxy)phenyl]imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline
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Frequently Asked Questions

What is the IUPAC name of 16-phenyl-5-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]oxy-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene?
The IUPAC name of 16-phenyl-5-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]oxy-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene (CID 118915711) is 16-phenyl-5-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]oxy-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene.
What is the SMILES notation for 16-phenyl-5-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]oxy-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene?
The canonical SMILES for 16-phenyl-5-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]oxy-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene is CC(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4ccc5c(c4)c4ncc6n4c4c(cc(-c7ccccc7)cc54)CC6)cc32)c1.
What is the InChIKey of 16-phenyl-5-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]oxy-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene?
The InChIKey is VIDONEBUTPIEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N4O/c1-26(2)28-18-19-44-41(22-28)47-39-11-7-6-10-35(39)36-17-15-33(24-40(36)47)48-32-14-16-34-37-21-30(27-8-4-3-5-9-27)20-29-12-13-31-25-45-43(38(34)23-32)46(31)42(29)37/h3-11,14-26H,12-13H2,1-2H3.
What are the key properties of 16-phenyl-5-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]oxy-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene?
16-phenyl-5-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]oxy-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene has a molecular weight of 620.76 g/mol, XLogP of 10.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 16-phenyl-5-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]oxy-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene is sourced from PubChem (CID 118915711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).