14-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-12-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene

C74H44N6 — CID 122466347

IUPAC14-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-12-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
SMILESc1cc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)nc3c2-c2cccc4cccc-3c24)cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1
InChIInChI=1S/C74H44N6/c1-7-28-62-52(20-1)53-21-2-8-29-63(53)79(62)50-38-40-68-60(43-50)56-24-5-11-32-66(56)77(68)48-36-34-46(35-37-48)74-75-72(71-58-26-14-16-45-17-15-27-59(70(45)58)73(71)76-74)47-18-13-19-49(42-47)78-67-33-12-6-25-57(67)61-44-51(39-41-69(61)78)80-64-30-9-3-22-54(64)55-23-4-10-31-65(55)80/h1-44H
InChIKeyBBNTZRLARRUHNQ-UHFFFAOYSA-N
MW1017.21 g/mol
LogP19.00
Rot. Bonds6

About 14-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-12-[4-(3-carbazol-9-ylcarbazol-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-carbazol-9-ylcarbazol-9-yl)phenyl]-12-[4-(3-carbazol-9-ylcarbazol-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 122466347) has the molecular formula C74H44N6 and a molecular weight of 1017.21 g/mol. Its IUPAC name is 14-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-12-[4-(3-carbazol-9-ylcarbazol-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-carbazol-9-ylcarbazol-9-yl)phenyl]-12-[4-(3-carbazol-9-ylcarbazol-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 CID122466347
Molecular FormulaC74H44N6
Molecular Weight1017.21 g/mol
Exact Mass1016.36
IUPAC Name14-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-12-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
SMILESc1cc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)nc3c2-c2cccc4cccc-3c24)cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1
InChIInChI=1S/C74H44N6/c1-7-28-62-52(20-1)53-21-2-8-29-63(53)79(62)50-38-40-68-60(43-50)56-24-5-11-32-66(56)77(68)48-36-34-46(35-37-48)74-75-72(71-58-26-14-16-45-17-15-27-59(70(45)58)73(71)76-74)47-18-13-19-49(42-47)78-67-33-12-6-25-57(67)61-44-51(39-41-69(61)78)80-64-30-9-3-22-54(64)55-23-4-10-31-65(55)80/h1-44H
InChIKeyBBNTZRLARRUHNQ-UHFFFAOYSA-N
XLogP19.00
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001017.21
LogP ≤ 519.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 14-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-12-[4-(3-carbazol-9-ylcarbazol-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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Related Compounds

3-[12-[3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-14-yl]benzonitrile
CID 122467409
14-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12-[3-[2-(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(15),11,13-octaene
CID 122466557
4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12,14-bis[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 122466364
12,14-bis(4-carbazol-9-ylphenyl)-4-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 122466261
11,14-diphenyl-13-(9-phenylcarbazol-3-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 122524487
9-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]carbazole
CID 121258006
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 122466417
3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole
CID 90211376
3-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 148633406
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 162055470
3-carbazol-9-yl-9-[4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 130353815
3-carbazol-9-yl-9-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 153459439

Frequently Asked Questions

What is the IUPAC name of 14-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-12-[4-(3-carbazol-9-ylcarbazol-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-carbazol-9-ylcarbazol-9-yl)phenyl]-12-[4-(3-carbazol-9-ylcarbazol-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 122466347) is 14-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-12-[4-(3-carbazol-9-ylcarbazol-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-carbazol-9-ylcarbazol-9-yl)phenyl]-12-[4-(3-carbazol-9-ylcarbazol-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-carbazol-9-ylcarbazol-9-yl)phenyl]-12-[4-(3-carbazol-9-ylcarbazol-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 c1cc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)nc3c2-c2cccc4cccc-3c24)cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.
What is the InChIKey of 14-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-12-[4-(3-carbazol-9-ylcarbazol-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 BBNTZRLARRUHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H44N6/c1-7-28-62-52(20-1)53-21-2-8-29-63(53)79(62)50-38-40-68-60(43-50)56-24-5-11-32-66(56)77(68)48-36-34-46(35-37-48)74-75-72(71-58-26-14-16-45-17-15-27-59(70(45)58)73(71)76-74)47-18-13-19-49(42-47)78-67-33-12-6-25-57(67)61-44-51(39-41-69(61)78)80-64-30-9-3-22-54(64)55-23-4-10-31-65(55)80/h1-44H.
What are the key properties of 14-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-12-[4-(3-carbazol-9-ylcarbazol-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-carbazol-9-ylcarbazol-9-yl)phenyl]-12-[4-(3-carbazol-9-ylcarbazol-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 1017.21 g/mol, XLogP of 19.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-12-[4-(3-carbazol-9-ylcarbazol-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 122466347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).