14-phenyl-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12-[3-[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

C86H52N6 — CID 121444260

IUPAC14-phenyl-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12-[3-[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
SMILESc1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)nc3c2-c2ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c4cccc-3c24)cc1
InChIInChI=1S/C86H52N6/c1-4-20-53(21-5-1)84-83-67-42-47-77(92-76-37-17-13-31-65(76)72-52-57(41-46-81(72)92)55-39-44-79-70(50-55)63-29-11-15-35-74(63)90(79)60-25-8-3-9-26-60)66-32-19-33-68(82(66)67)85(83)88-86(87-84)58-22-18-27-61(48-58)91-75-36-16-12-30-64(75)71-51-56(40-45-80(71)91)54-38-43-78-69(49-54)62-28-10-14-34-73(62)89(78)59-23-6-2-7-24-59/h1-52H
InChIKeyHFEOQQCYHRRTPU-UHFFFAOYSA-N
MW1169.40 g/mol
LogP22.33
Rot. Bonds8

About 14-phenyl-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12-[3-[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

14-phenyl-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12-[3-[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 121444260) has the molecular formula C86H52N6 and a molecular weight of 1169.40 g/mol. Its IUPAC name is 14-phenyl-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12-[3-[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 Name14-phenyl-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12-[3-[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 CID121444260
Molecular FormulaC86H52N6
Molecular Weight1169.40 g/mol
Exact Mass1168.43
IUPAC Name14-phenyl-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12-[3-[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
SMILESc1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)nc3c2-c2ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c4cccc-3c24)cc1
InChIInChI=1S/C86H52N6/c1-4-20-53(21-5-1)84-83-67-42-47-77(92-76-37-17-13-31-65(76)72-52-57(41-46-81(72)92)55-39-44-79-70(50-55)63-29-11-15-35-74(63)90(79)60-25-8-3-9-26-60)66-32-19-33-68(82(66)67)85(83)88-86(87-84)58-22-18-27-61(48-58)91-75-36-16-12-30-64(75)71-51-56(40-45-80(71)91)54-38-43-78-69(49-54)62-28-10-14-34-73(62)89(78)59-23-6-2-7-24-59/h1-52H
InChIKeyHFEOQQCYHRRTPU-UHFFFAOYSA-N
XLogP22.33
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001169.40
LogP ≤ 522.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 14-phenyl-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12-[3-[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 14-phenyl-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12-[3-[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 14-phenyl-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12-[3-[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 121444260) is 14-phenyl-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12-[3-[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 14-phenyl-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12-[3-[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 14-phenyl-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12-[3-[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 c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)nc3c2-c2ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c4cccc-3c24)cc1.
What is the InChIKey of 14-phenyl-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12-[3-[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 HFEOQQCYHRRTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H52N6/c1-4-20-53(21-5-1)84-83-67-42-47-77(92-76-37-17-13-31-65(76)72-52-57(41-46-81(72)92)55-39-44-79-70(50-55)63-29-11-15-35-74(63)90(79)60-25-8-3-9-26-60)66-32-19-33-68(82(66)67)85(83)88-86(87-84)58-22-18-27-61(48-58)91-75-36-16-12-30-64(75)71-51-56(40-45-80(71)91)54-38-43-78-69(49-54)62-28-10-14-34-73(62)89(78)59-23-6-2-7-24-59/h1-52H.
What are the key properties of 14-phenyl-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12-[3-[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?
14-phenyl-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12-[3-[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 1169.40 g/mol, XLogP of 22.33, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 14-phenyl-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12-[3-[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 121444260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).