12-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-14-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene

C86H52N6 — CID 121444257

IUPAC12-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-14-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
SMILESc1ccc(-c2nc(-c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)nc3c2-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C86H52N6/c1-4-20-54(21-5-1)84-83-68-32-18-22-53-23-19-33-69(82(53)68)85(83)88-86(87-84)59-46-62(91-76-36-16-12-30-66(76)72-50-57(40-44-80(72)91)55-38-42-78-70(48-55)64-28-10-14-34-74(64)89(78)60-24-6-2-7-25-60)52-63(47-59)92-77-37-17-13-31-67(77)73-51-58(41-45-81(73)92)56-39-43-79-71(49-56)65-29-11-15-35-75(65)90(79)61-26-8-3-9-27-61/h1-52H
InChIKeyGTXLZYHSRFRKQY-UHFFFAOYSA-N
MW1169.40 g/mol
LogP22.33
Rot. Bonds8

About 12-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-14-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene

12-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-14-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene (PubChem CID 121444257) has the molecular formula C86H52N6 and a molecular weight of 1169.40 g/mol. Its IUPAC name is 12-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-14-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene.

Molecular Properties

Compound Name12-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-14-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
PubChem CID121444257
Molecular FormulaC86H52N6
Molecular Weight1169.40 g/mol
Exact Mass1168.43
IUPAC Name12-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-14-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
SMILESc1ccc(-c2nc(-c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)nc3c2-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C86H52N6/c1-4-20-54(21-5-1)84-83-68-32-18-22-53-23-19-33-69(82(53)68)85(83)88-86(87-84)59-46-62(91-76-36-16-12-30-66(76)72-50-57(40-44-80(72)91)55-38-42-78-70(48-55)64-28-10-14-34-74(64)89(78)60-24-6-2-7-25-60)52-63(47-59)92-77-37-17-13-31-67(77)73-51-58(41-45-81(73)92)56-39-43-79-71(49-56)65-29-11-15-35-75(65)90(79)61-26-8-3-9-27-61/h1-52H
InChIKeyGTXLZYHSRFRKQY-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 12-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-14-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-14-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The IUPAC name of 12-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-14-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene (CID 121444257) is 12-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-14-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene.
What is the SMILES notation for 12-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-14-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The canonical SMILES for 12-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-14-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene is c1ccc(-c2nc(-c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)nc3c2-c2cccc4cccc-3c24)cc1.
What is the InChIKey of 12-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-14-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The InChIKey is GTXLZYHSRFRKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H52N6/c1-4-20-54(21-5-1)84-83-68-32-18-22-53-23-19-33-69(82(53)68)85(83)88-86(87-84)59-46-62(91-76-36-16-12-30-66(76)72-50-57(40-44-80(72)91)55-38-42-78-70(48-55)64-28-10-14-34-74(64)89(78)60-24-6-2-7-25-60)52-63(47-59)92-77-37-17-13-31-67(77)73-51-58(41-45-81(73)92)56-39-43-79-71(49-56)65-29-11-15-35-75(65)90(79)61-26-8-3-9-27-61/h1-52H.
What are the key properties of 12-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-14-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
12-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-14-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),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 12-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-14-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene is sourced from PubChem (CID 121444257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).