14-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-(trifluoromethyl)-8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene

C46H26F3N3O — CID 146413718

IUPAC14-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-(trifluoromethyl)-8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
SMILESFC(F)(F)c1ccc2c(c1)-c1cnc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c3cccc(c13)O2
InChIInChI=1S/C46H26F3N3O/c47-46(48,49)29-19-22-42-36(25-29)37-26-50-45(33-13-8-16-43(53-42)44(33)37)52-39-15-7-5-12-32(39)35-24-28(18-21-41(35)52)27-17-20-40-34(23-27)31-11-4-6-14-38(31)51(40)30-9-2-1-3-10-30/h1-26H
InChIKeyIVHNPNIXUIGYKR-UHFFFAOYSA-N
MW693.73 g/mol
LogP12.89
Rot. Bonds3

About 14-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-(trifluoromethyl)-8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene

14-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-(trifluoromethyl)-8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene (PubChem CID 146413718) has the molecular formula C46H26F3N3O and a molecular weight of 693.73 g/mol. Its IUPAC name is 14-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-(trifluoromethyl)-8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene.

Molecular Properties

Compound Name14-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-(trifluoromethyl)-8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
PubChem CID146413718
Molecular FormulaC46H26F3N3O
Molecular Weight693.73 g/mol
Exact Mass693.20
IUPAC Name14-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-(trifluoromethyl)-8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
SMILESFC(F)(F)c1ccc2c(c1)-c1cnc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c3cccc(c13)O2
InChIInChI=1S/C46H26F3N3O/c47-46(48,49)29-19-22-42-36(25-29)37-26-50-45(33-13-8-16-43(53-42)44(33)37)52-39-15-7-5-12-32(39)35-24-28(18-21-41(35)52)27-17-20-40-34(23-27)31-11-4-6-14-38(31)51(40)30-9-2-1-3-10-30/h1-26H
InChIKeyIVHNPNIXUIGYKR-UHFFFAOYSA-N
XLogP12.89
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.73
LogP ≤ 512.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 14-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-(trifluoromethyl)-8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-(trifluoromethyl)-8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene?
The IUPAC name of 14-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-(trifluoromethyl)-8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene (CID 146413718) is 14-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-(trifluoromethyl)-8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene.
What is the SMILES notation for 14-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-(trifluoromethyl)-8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene?
The canonical SMILES for 14-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-(trifluoromethyl)-8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene is FC(F)(F)c1ccc2c(c1)-c1cnc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c3cccc(c13)O2.
What is the InChIKey of 14-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-(trifluoromethyl)-8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene?
The InChIKey is IVHNPNIXUIGYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26F3N3O/c47-46(48,49)29-19-22-42-36(25-29)37-26-50-45(33-13-8-16-43(53-42)44(33)37)52-39-15-7-5-12-32(39)35-24-28(18-21-41(35)52)27-17-20-40-34(23-27)31-11-4-6-14-38(31)51(40)30-9-2-1-3-10-30/h1-26H.
What are the key properties of 14-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-(trifluoromethyl)-8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene?
14-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-(trifluoromethyl)-8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene has a molecular weight of 693.73 g/mol, XLogP of 12.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-(trifluoromethyl)-8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene is sourced from PubChem (CID 146413718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).