9-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-4,20-dioxa-9-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2,5,7,11,14(19),17-heptaene

C47H30N2O3 — CID 163801490

IUPAC9-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-4,20-dioxa-9-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2,5,7,11,14(19),17-heptaene
SMILESC1=COC2=C3c4oc5c(c4C=CC3N(c3cccc(-c4cccc(-n6c7ccccc7c7c8oc9ccccc9c8ccc76)c4)c3)C2=C1)CCC=C5
InChIInChI=1S/C47H30N2O3/c1-4-17-37-36(16-1)43-38(23-21-34-32-14-2-5-19-41(32)51-45(34)43)48(37)30-12-7-10-28(26-30)29-11-8-13-31(27-29)49-39-24-22-35-33-15-3-6-20-42(33)52-46(35)44(39)47-40(49)18-9-25-50-47/h1-2,4-14,16-27,39H,3,15H2
InChIKeyYQRMSKXGLGJGNQ-UHFFFAOYSA-N
MW670.77 g/mol
LogP11.96
Rot. Bonds3

About 9-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-4,20-dioxa-9-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2,5,7,11,14(19),17-heptaene

9-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-4,20-dioxa-9-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2,5,7,11,14(19),17-heptaene (PubChem CID 163801490) has the molecular formula C47H30N2O3 and a molecular weight of 670.77 g/mol. Its IUPAC name is 9-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-4,20-dioxa-9-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2,5,7,11,14(19),17-heptaene.

Molecular Properties

Compound Name9-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-4,20-dioxa-9-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2,5,7,11,14(19),17-heptaene
PubChem CID163801490
Molecular FormulaC47H30N2O3
Molecular Weight670.77 g/mol
Exact Mass670.23
IUPAC Name9-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-4,20-dioxa-9-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2,5,7,11,14(19),17-heptaene
SMILESC1=COC2=C3c4oc5c(c4C=CC3N(c3cccc(-c4cccc(-n6c7ccccc7c7c8oc9ccccc9c8ccc76)c4)c3)C2=C1)CCC=C5
InChIInChI=1S/C47H30N2O3/c1-4-17-37-36(16-1)43-38(23-21-34-32-14-2-5-19-41(32)51-45(34)43)48(37)30-12-7-10-28(26-30)29-11-8-13-31(27-29)49-39-24-22-35-33-15-3-6-20-42(33)52-46(35)44(39)47-40(49)18-9-25-50-47/h1-2,4-14,16-27,39H,3,15H2
InChIKeyYQRMSKXGLGJGNQ-UHFFFAOYSA-N
XLogP11.96
TPSA43.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.77
LogP ≤ 511.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-4,20-dioxa-9-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2,5,7,11,14(19),17-heptaene with MolForge

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Related Compounds

2-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 134223669
5-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 126652572
5-[3,5-di(dibenzofuran-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 171612138
5-phenyl-2-(3-phenylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 121343859
6,24-di(dibenzofuran-2-yl)-10-(3,4-dihydrocarbazol-9-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene
CID 166003071
5-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 167193138
24-(3-cyclohexa-1,5-dien-1-ylphenyl)-6,10-diphenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene;ethane
CID 144604490
5-phenyl-2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 140840864
6-([1]benzofuro[3,2-c]carbazol-5-yl)-2-phenylxanthen-9-one
CID 146176135
5-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 161186083
6-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile
CID 146543049
5-(7-dibenzofuran-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 170276888

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-4,20-dioxa-9-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2,5,7,11,14(19),17-heptaene?
The IUPAC name of 9-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-4,20-dioxa-9-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2,5,7,11,14(19),17-heptaene (CID 163801490) is 9-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-4,20-dioxa-9-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2,5,7,11,14(19),17-heptaene.
What is the SMILES notation for 9-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-4,20-dioxa-9-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2,5,7,11,14(19),17-heptaene?
The canonical SMILES for 9-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-4,20-dioxa-9-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2,5,7,11,14(19),17-heptaene is C1=COC2=C3c4oc5c(c4C=CC3N(c3cccc(-c4cccc(-n6c7ccccc7c7c8oc9ccccc9c8ccc76)c4)c3)C2=C1)CCC=C5.
What is the InChIKey of 9-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-4,20-dioxa-9-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2,5,7,11,14(19),17-heptaene?
The InChIKey is YQRMSKXGLGJGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N2O3/c1-4-17-37-36(16-1)43-38(23-21-34-32-14-2-5-19-41(32)51-45(34)43)48(37)30-12-7-10-28(26-30)29-11-8-13-31(27-29)49-39-24-22-35-33-15-3-6-20-42(33)52-46(35)44(39)47-40(49)18-9-25-50-47/h1-2,4-14,16-27,39H,3,15H2.
What are the key properties of 9-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-4,20-dioxa-9-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2,5,7,11,14(19),17-heptaene?
9-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-4,20-dioxa-9-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2,5,7,11,14(19),17-heptaene has a molecular weight of 670.77 g/mol, XLogP of 11.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-4,20-dioxa-9-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2,5,7,11,14(19),17-heptaene is sourced from PubChem (CID 163801490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).