4-(fluoromethyl)-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

C87H53FN6 — CID 122467417

IUPAC4-(fluoromethyl)-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
SMILESFCc1ccc2c3c(cccc13)-c1nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)c1-2
InChIInChI=1S/C87H53FN6/c88-52-59-35-42-69-83-64(59)27-16-28-70(83)86-84(69)85(58-17-15-22-63(47-58)94-78-32-14-10-26-68(78)74-51-57(39-46-82(74)94)55-37-44-80-72(49-55)66-24-8-12-30-76(66)92(80)61-20-5-2-6-21-61)89-87(90-86)53-33-40-62(41-34-53)93-77-31-13-9-25-67(77)73-50-56(38-45-81(73)93)54-36-43-79-71(48-54)65-23-7-11-29-75(65)91(79)60-18-3-1-4-19-60/h1-51H,52H2
InChIKeyYBCUKDXEKMCUSF-UHFFFAOYSA-N
MW1201.42 g/mol
LogP22.80
Rot. Bonds9

About 4-(fluoromethyl)-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-(fluoromethyl)-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 122467417) has the molecular formula C87H53FN6 and a molecular weight of 1201.42 g/mol. Its IUPAC name is 4-(fluoromethyl)-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-(fluoromethyl)-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 CID122467417
Molecular FormulaC87H53FN6
Molecular Weight1201.42 g/mol
Exact Mass1200.43
IUPAC Name4-(fluoromethyl)-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
SMILESFCc1ccc2c3c(cccc13)-c1nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)c1-2
InChIInChI=1S/C87H53FN6/c88-52-59-35-42-69-83-64(59)27-16-28-70(83)86-84(69)85(58-17-15-22-63(47-58)94-78-32-14-10-26-68(78)74-51-57(39-46-82(74)94)55-37-44-80-72(49-55)66-24-8-12-30-76(66)92(80)61-20-5-2-6-21-61)89-87(90-86)53-33-40-62(41-34-53)93-77-31-13-9-25-67(77)73-50-56(38-45-81(73)93)54-36-43-79-71(48-54)65-23-7-11-29-75(65)91(79)60-18-3-1-4-19-60/h1-51H,52H2
InChIKeyYBCUKDXEKMCUSF-UHFFFAOYSA-N
XLogP22.80
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001201.42
LogP ≤ 522.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(fluoromethyl)-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-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-(fluoromethyl)-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 122467417) is 4-(fluoromethyl)-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-(fluoromethyl)-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-(fluoromethyl)-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 FCc1ccc2c3c(cccc13)-c1nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)c1-2.
What is the InChIKey of 4-(fluoromethyl)-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 YBCUKDXEKMCUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H53FN6/c88-52-59-35-42-69-83-64(59)27-16-28-70(83)86-84(69)85(58-17-15-22-63(47-58)94-78-32-14-10-26-68(78)74-51-57(39-46-82(74)94)55-37-44-80-72(49-55)66-24-8-12-30-76(66)92(80)61-20-5-2-6-21-61)89-87(90-86)53-33-40-62(41-34-53)93-77-31-13-9-25-67(77)73-50-56(38-45-81(73)93)54-36-43-79-71(48-54)65-23-7-11-29-75(65)91(79)60-18-3-1-4-19-60/h1-51H,52H2.
What are the key properties of 4-(fluoromethyl)-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-(fluoromethyl)-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 1201.42 g/mol, XLogP of 22.80, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-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 122467417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).