14-[5-[3-(9-phenyl-2,3-dihydrocarbazol-3-yl)carbazol-9-yl]cyclohexa-2,4-dien-1-yl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene

C50H34N4O — CID 163676763

IUPAC14-[5-[3-(9-phenyl-2,3-dihydrocarbazol-3-yl)carbazol-9-yl]cyclohexa-2,4-dien-1-yl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
SMILESC1=CC(c2cnc3c(n2)oc2ccc4ccccc4c23)CC(n2c3ccccc3c3cc(C4C=c5c(n(-c6ccccc6)c6ccccc56)=CC4)ccc32)=C1
InChIInChI=1S/C50H34N4O/c1-2-13-35(14-3-1)53-43-19-8-6-17-38(43)40-28-32(21-24-45(40)53)33-22-25-46-41(29-33)39-18-7-9-20-44(39)54(46)36-15-10-12-34(27-36)42-30-51-49-48-37-16-5-4-11-31(37)23-26-47(48)55-50(49)52-42/h1-20,22-26,28-30,32,34H,21,27H2
InChIKeyJHILPIMXCJAYFR-UHFFFAOYSA-N
MW706.85 g/mol
LogP10.91
Rot. Bonds4

About 14-[5-[3-(9-phenyl-2,3-dihydrocarbazol-3-yl)carbazol-9-yl]cyclohexa-2,4-dien-1-yl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene

14-[5-[3-(9-phenyl-2,3-dihydrocarbazol-3-yl)carbazol-9-yl]cyclohexa-2,4-dien-1-yl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene (PubChem CID 163676763) has the molecular formula C50H34N4O and a molecular weight of 706.85 g/mol. Its IUPAC name is 14-[5-[3-(9-phenyl-2,3-dihydrocarbazol-3-yl)carbazol-9-yl]cyclohexa-2,4-dien-1-yl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene.

Molecular Properties

Compound Name14-[5-[3-(9-phenyl-2,3-dihydrocarbazol-3-yl)carbazol-9-yl]cyclohexa-2,4-dien-1-yl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
PubChem CID163676763
Molecular FormulaC50H34N4O
Molecular Weight706.85 g/mol
Exact Mass706.27
IUPAC Name14-[5-[3-(9-phenyl-2,3-dihydrocarbazol-3-yl)carbazol-9-yl]cyclohexa-2,4-dien-1-yl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
SMILESC1=CC(c2cnc3c(n2)oc2ccc4ccccc4c23)CC(n2c3ccccc3c3cc(C4C=c5c(n(-c6ccccc6)c6ccccc56)=CC4)ccc32)=C1
InChIInChI=1S/C50H34N4O/c1-2-13-35(14-3-1)53-43-19-8-6-17-38(43)40-28-32(21-24-45(40)53)33-22-25-46-41(29-33)39-18-7-9-20-44(39)54(46)36-15-10-12-34(27-36)42-30-51-49-48-37-16-5-4-11-31(37)23-26-47(48)55-50(49)52-42/h1-20,22-26,28-30,32,34H,21,27H2
InChIKeyJHILPIMXCJAYFR-UHFFFAOYSA-N
XLogP10.91
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.85
LogP ≤ 510.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 14-[5-[3-(9-phenyl-2,3-dihydrocarbazol-3-yl)carbazol-9-yl]cyclohexa-2,4-dien-1-yl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-[5-[3-(9-phenyl-2,3-dihydrocarbazol-3-yl)carbazol-9-yl]cyclohexa-2,4-dien-1-yl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
The IUPAC name of 14-[5-[3-(9-phenyl-2,3-dihydrocarbazol-3-yl)carbazol-9-yl]cyclohexa-2,4-dien-1-yl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene (CID 163676763) is 14-[5-[3-(9-phenyl-2,3-dihydrocarbazol-3-yl)carbazol-9-yl]cyclohexa-2,4-dien-1-yl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene.
What is the SMILES notation for 14-[5-[3-(9-phenyl-2,3-dihydrocarbazol-3-yl)carbazol-9-yl]cyclohexa-2,4-dien-1-yl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
The canonical SMILES for 14-[5-[3-(9-phenyl-2,3-dihydrocarbazol-3-yl)carbazol-9-yl]cyclohexa-2,4-dien-1-yl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene is C1=CC(c2cnc3c(n2)oc2ccc4ccccc4c23)CC(n2c3ccccc3c3cc(C4C=c5c(n(-c6ccccc6)c6ccccc56)=CC4)ccc32)=C1.
What is the InChIKey of 14-[5-[3-(9-phenyl-2,3-dihydrocarbazol-3-yl)carbazol-9-yl]cyclohexa-2,4-dien-1-yl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
The InChIKey is JHILPIMXCJAYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N4O/c1-2-13-35(14-3-1)53-43-19-8-6-17-38(43)40-28-32(21-24-45(40)53)33-22-25-46-41(29-33)39-18-7-9-20-44(39)54(46)36-15-10-12-34(27-36)42-30-51-49-48-37-16-5-4-11-31(37)23-26-47(48)55-50(49)52-42/h1-20,22-26,28-30,32,34H,21,27H2.
What are the key properties of 14-[5-[3-(9-phenyl-2,3-dihydrocarbazol-3-yl)carbazol-9-yl]cyclohexa-2,4-dien-1-yl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
14-[5-[3-(9-phenyl-2,3-dihydrocarbazol-3-yl)carbazol-9-yl]cyclohexa-2,4-dien-1-yl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene has a molecular weight of 706.85 g/mol, XLogP of 10.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[5-[3-(9-phenyl-2,3-dihydrocarbazol-3-yl)carbazol-9-yl]cyclohexa-2,4-dien-1-yl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene is sourced from PubChem (CID 163676763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).