16-phenyl-20-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-12-oxa-16-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17(22),18,20,23-undecaene

C52H30N2O2 — CID 134223328

IUPAC16-phenyl-20-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-12-oxa-16-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17(22),18,20,23-undecaene
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccccc4)oc4cc5ccccc5cc46)cc3c3cc4c(cc32)oc2ccccc24)cc1
InChIInChI=1S/C52H30N2O2/c1-3-13-35(14-4-1)53-45-21-19-33(23-38(45)40-27-43-37-17-9-10-18-49(37)55-51(43)29-47(40)53)34-20-22-46-39(24-34)41-28-44-42-25-31-11-7-8-12-32(31)26-50(42)56-52(44)30-48(41)54(46)36-15-5-2-6-16-36/h1-30H
InChIKeyNZKAFDWEOGOMGD-UHFFFAOYSA-N
MW714.82 g/mol
LogP14.50
Rot. Bonds3

About 16-phenyl-20-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-12-oxa-16-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17(22),18,20,23-undecaene

16-phenyl-20-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-12-oxa-16-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17(22),18,20,23-undecaene (PubChem CID 134223328) has the molecular formula C52H30N2O2 and a molecular weight of 714.82 g/mol. Its IUPAC name is 16-phenyl-20-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-12-oxa-16-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17(22),18,20,23-undecaene.

Molecular Properties

Compound Name16-phenyl-20-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-12-oxa-16-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17(22),18,20,23-undecaene
PubChem CID134223328
Molecular FormulaC52H30N2O2
Molecular Weight714.82 g/mol
Exact Mass714.23
IUPAC Name16-phenyl-20-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-12-oxa-16-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17(22),18,20,23-undecaene
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccccc4)oc4cc5ccccc5cc46)cc3c3cc4c(cc32)oc2ccccc24)cc1
InChIInChI=1S/C52H30N2O2/c1-3-13-35(14-4-1)53-45-21-19-33(23-38(45)40-27-43-37-17-9-10-18-49(37)55-51(43)29-47(40)53)34-20-22-46-39(24-34)41-28-44-42-25-31-11-7-8-12-32(31)26-50(42)56-52(44)30-48(41)54(46)36-15-5-2-6-16-36/h1-30H
InChIKeyNZKAFDWEOGOMGD-UHFFFAOYSA-N
XLogP14.50
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.82
LogP ≤ 514.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 16-phenyl-20-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-12-oxa-16-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17(22),18,20,23-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 16-phenyl-20-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-12-oxa-16-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17(22),18,20,23-undecaene?
The IUPAC name of 16-phenyl-20-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-12-oxa-16-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17(22),18,20,23-undecaene (CID 134223328) is 16-phenyl-20-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-12-oxa-16-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17(22),18,20,23-undecaene.
What is the SMILES notation for 16-phenyl-20-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-12-oxa-16-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17(22),18,20,23-undecaene?
The canonical SMILES for 16-phenyl-20-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-12-oxa-16-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17(22),18,20,23-undecaene is c1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccccc4)oc4cc5ccccc5cc46)cc3c3cc4c(cc32)oc2ccccc24)cc1.
What is the InChIKey of 16-phenyl-20-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-12-oxa-16-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17(22),18,20,23-undecaene?
The InChIKey is NZKAFDWEOGOMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N2O2/c1-3-13-35(14-4-1)53-45-21-19-33(23-38(45)40-27-43-37-17-9-10-18-49(37)55-51(43)29-47(40)53)34-20-22-46-39(24-34)41-28-44-42-25-31-11-7-8-12-32(31)26-50(42)56-52(44)30-48(41)54(46)36-15-5-2-6-16-36/h1-30H.
What are the key properties of 16-phenyl-20-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-12-oxa-16-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17(22),18,20,23-undecaene?
16-phenyl-20-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-12-oxa-16-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17(22),18,20,23-undecaene has a molecular weight of 714.82 g/mol, XLogP of 14.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 16-phenyl-20-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-12-oxa-16-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17(22),18,20,23-undecaene is sourced from PubChem (CID 134223328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).