4,6-difluoro-14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene

C86H50F2N6 — CID 122466554

IUPAC4,6-difluoro-14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
SMILESFc1ccc2c3c(ccc(F)c13)-c1c(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)nc1-2
InChIInChI=1S/C86H50F2N6/c87-71-40-38-65-81-66(39-41-72(88)83(71)81)85-82(65)84(56-16-15-21-60(46-56)94-76-29-14-10-25-64(76)70-50-55(35-45-80(70)94)53-33-43-78-68(48-53)62-23-8-12-27-74(62)92(78)58-19-5-2-6-20-58)89-86(90-85)51-30-36-59(37-31-51)93-75-28-13-9-24-63(75)69-49-54(34-44-79(69)93)52-32-42-77-67(47-52)61-22-7-11-26-73(61)91(77)57-17-3-1-4-18-57/h1-50H
InChIKeyDCHPJEYVYGQRMR-UHFFFAOYSA-N
MW1205.38 g/mol
LogP22.61
Rot. Bonds8

About 4,6-difluoro-14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene

4,6-difluoro-14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene (PubChem CID 122466554) has the molecular formula C86H50F2N6 and a molecular weight of 1205.38 g/mol. Its IUPAC name is 4,6-difluoro-14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene.

Molecular Properties

Compound Name4,6-difluoro-14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
PubChem CID122466554
Molecular FormulaC86H50F2N6
Molecular Weight1205.38 g/mol
Exact Mass1204.41
IUPAC Name4,6-difluoro-14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
SMILESFc1ccc2c3c(ccc(F)c13)-c1c(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)nc1-2
InChIInChI=1S/C86H50F2N6/c87-71-40-38-65-81-66(39-41-72(88)83(71)81)85-82(65)84(56-16-15-21-60(46-56)94-76-29-14-10-25-64(76)70-50-55(35-45-80(70)94)53-33-43-78-68(48-53)62-23-8-12-27-74(62)92(78)58-19-5-2-6-20-58)89-86(90-85)51-30-36-59(37-31-51)93-75-28-13-9-24-63(75)69-49-54(34-44-79(69)93)52-32-42-77-67(47-52)61-22-7-11-26-73(61)91(77)57-17-3-1-4-18-57/h1-50H
InChIKeyDCHPJEYVYGQRMR-UHFFFAOYSA-N
XLogP22.61
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001205.38
LogP ≤ 522.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4,6-difluoro-14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?
The IUPAC name of 4,6-difluoro-14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene (CID 122466554) is 4,6-difluoro-14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene.
What is the SMILES notation for 4,6-difluoro-14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?
The canonical SMILES for 4,6-difluoro-14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene is Fc1ccc2c3c(ccc(F)c13)-c1c(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)nc1-2.
What is the InChIKey of 4,6-difluoro-14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?
The InChIKey is DCHPJEYVYGQRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H50F2N6/c87-71-40-38-65-81-66(39-41-72(88)83(71)81)85-82(65)84(56-16-15-21-60(46-56)94-76-29-14-10-25-64(76)70-50-55(35-45-80(70)94)53-33-43-78-68(48-53)62-23-8-12-27-74(62)92(78)58-19-5-2-6-20-58)89-86(90-85)51-30-36-59(37-31-51)93-75-28-13-9-24-63(75)69-49-54(34-44-79(69)93)52-32-42-77-67(47-52)61-22-7-11-26-73(61)91(77)57-17-3-1-4-18-57/h1-50H.
What are the key properties of 4,6-difluoro-14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?
4,6-difluoro-14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene has a molecular weight of 1205.38 g/mol, XLogP of 22.61, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-14-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene is sourced from PubChem (CID 122466554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).