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-1,3,5(16),6,8,10,12,14-octaene

C86H52N6 — CID 121444226

IUPAC14-[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-1,3,5(16),6,8,10,12,14-octaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc(-c6cccc(-n7c8ccccc8c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)ccc87)c6)c6c(n5)-c5cccc7cccc-6c57)cc4)ccc32)cc1
InChIInChI=1S/C86H52N6/c1-3-21-60(22-4-1)89-74-32-11-7-26-64(74)70-49-55(38-44-78(70)89)57-40-46-80-72(51-57)66-28-9-13-34-76(66)91(80)62-42-36-54(37-43-62)86-87-84(83-68-30-16-18-53-19-17-31-69(82(53)68)85(83)88-86)59-20-15-25-63(48-59)92-77-35-14-10-29-67(77)73-52-58(41-47-81(73)92)56-39-45-79-71(50-56)65-27-8-12-33-75(65)90(79)61-23-5-2-6-24-61/h1-52H
InChIKeyQHRCTKRNTAEGNU-UHFFFAOYSA-N
MW1169.40 g/mol
LogP22.33
Rot. Bonds8

About 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-1,3,5(16),6,8,10,12,14-octaene

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-1,3,5(16),6,8,10,12,14-octaene (PubChem CID 121444226) has the molecular formula C86H52N6 and a molecular weight of 1169.40 g/mol. Its IUPAC name is 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-1,3,5(16),6,8,10,12,14-octaene.

Molecular Properties

Compound Name14-[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-1,3,5(16),6,8,10,12,14-octaene
PubChem CID121444226
Molecular FormulaC86H52N6
Molecular Weight1169.40 g/mol
Exact Mass1168.43
IUPAC Name14-[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-1,3,5(16),6,8,10,12,14-octaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc(-c6cccc(-n7c8ccccc8c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)ccc87)c6)c6c(n5)-c5cccc7cccc-6c57)cc4)ccc32)cc1
InChIInChI=1S/C86H52N6/c1-3-21-60(22-4-1)89-74-32-11-7-26-64(74)70-49-55(38-44-78(70)89)57-40-46-80-72(51-57)66-28-9-13-34-76(66)91(80)62-42-36-54(37-43-62)86-87-84(83-68-30-16-18-53-19-17-31-69(82(53)68)85(83)88-86)59-20-15-25-63(48-59)92-77-35-14-10-29-67(77)73-52-58(41-47-81(73)92)56-39-45-79-71(50-56)65-27-8-12-33-75(65)90(79)61-23-5-2-6-24-61/h1-52H
InChIKeyQHRCTKRNTAEGNU-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-[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-1,3,5(16),6,8,10,12,14-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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-1,3,5(16),6,8,10,12,14-octaene?
The IUPAC name of 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-1,3,5(16),6,8,10,12,14-octaene (CID 121444226) is 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-1,3,5(16),6,8,10,12,14-octaene.
What is the SMILES notation for 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-1,3,5(16),6,8,10,12,14-octaene?
The canonical SMILES for 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-1,3,5(16),6,8,10,12,14-octaene is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc(-c6cccc(-n7c8ccccc8c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)ccc87)c6)c6c(n5)-c5cccc7cccc-6c57)cc4)ccc32)cc1.
What is the InChIKey of 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-1,3,5(16),6,8,10,12,14-octaene?
The InChIKey is QHRCTKRNTAEGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H52N6/c1-3-21-60(22-4-1)89-74-32-11-7-26-64(74)70-49-55(38-44-78(70)89)57-40-46-80-72(51-57)66-28-9-13-34-76(66)91(80)62-42-36-54(37-43-62)86-87-84(83-68-30-16-18-53-19-17-31-69(82(53)68)85(83)88-86)59-20-15-25-63(48-59)92-77-35-14-10-29-67(77)73-52-58(41-47-81(73)92)56-39-45-79-71(50-56)65-27-8-12-33-75(65)90(79)61-23-5-2-6-24-61/h1-52H.
What are the key properties of 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-1,3,5(16),6,8,10,12,14-octaene?
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-1,3,5(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 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-1,3,5(16),6,8,10,12,14-octaene is sourced from PubChem (CID 121444226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).