12-[7-[9-(11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-9-phenylcarbazol-3-yl]-6-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene

C96H56N6 — CID 130330982

IUPAC12-[7-[9-(11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-9-phenylcarbazol-3-yl]-6-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c8c(cccc68)-c6ccc(-c8ccc9c(c8)c8ccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccc%11c%12c(cccc%10%12)-c%10cccnc%10-%11)cc8n9-c8ccccc8)nc6-7)ccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C96H56N6/c1-4-17-63(18-5-1)99-84-30-12-10-23-67(84)78-51-57(33-44-87(78)99)58-34-45-89-81(53-58)82-54-61(36-47-90(82)100(89)64-19-6-2-7-20-64)66-39-40-77-93-70(66)25-14-26-72(93)74-41-43-83(98-96(74)77)62-37-48-88-80(55-62)69-38-32-60(56-92(69)101(88)65-21-8-3-9-22-65)59-35-46-91-79(52-59)68-24-11-13-31-85(68)102(91)86-49-42-76-94-71(27-15-28-75(86)94)73-29-16-50-97-95(73)76/h1-56H
InChIKeyCVUVELAUIVKTTF-UHFFFAOYSA-N
MW1293.55 g/mol
LogP25.13
Rot. Bonds8

About 12-[7-[9-(11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-9-phenylcarbazol-3-yl]-6-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene

12-[7-[9-(11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-9-phenylcarbazol-3-yl]-6-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene (PubChem CID 130330982) has the molecular formula C96H56N6 and a molecular weight of 1293.55 g/mol. Its IUPAC name is 12-[7-[9-(11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-9-phenylcarbazol-3-yl]-6-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene.

Molecular Properties

Compound Name12-[7-[9-(11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-9-phenylcarbazol-3-yl]-6-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene
PubChem CID130330982
Molecular FormulaC96H56N6
Molecular Weight1293.55 g/mol
Exact Mass1292.46
IUPAC Name12-[7-[9-(11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-9-phenylcarbazol-3-yl]-6-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c8c(cccc68)-c6ccc(-c8ccc9c(c8)c8ccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccc%11c%12c(cccc%10%12)-c%10cccnc%10-%11)cc8n9-c8ccccc8)nc6-7)ccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C96H56N6/c1-4-17-63(18-5-1)99-84-30-12-10-23-67(84)78-51-57(33-44-87(78)99)58-34-45-89-81(53-58)82-54-61(36-47-90(82)100(89)64-19-6-2-7-20-64)66-39-40-77-93-70(66)25-14-26-72(93)74-41-43-83(98-96(74)77)62-37-48-88-80(55-62)69-38-32-60(56-92(69)101(88)65-21-8-3-9-22-65)59-35-46-91-79(52-59)68-24-11-13-31-85(68)102(91)86-49-42-76-94-71(27-15-28-75(86)94)73-29-16-50-97-95(73)76/h1-56H
InChIKeyCVUVELAUIVKTTF-UHFFFAOYSA-N
XLogP25.13
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001293.55
LogP ≤ 525.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 12-[7-[9-(11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-9-phenylcarbazol-3-yl]-6-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene with MolForge

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Related Compounds

8-[9-(11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole
CID 130326359
4-(3-phenylcarbazol-9-yl)-11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaene
CID 130326305
13-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
CID 130326472
4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-3,11-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
CID 145167603
3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 71291323
6-[9-(4-fluoranthen-3-ylphenyl)carbazol-3-yl]-2-[9-(3-fluoranthen-3-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole
CID 137420632
3-[9-(4-fluoranthen-3-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 71291329
3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaene
CID 130326127
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
2-[9-(3,11-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaen-4-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole
CID 130326154
2-(7-fluoranthen-3-ylbenzo[c]carbazol-10-yl)-5-phenylbenzo[b]carbazole;7-fluoranthen-3-yl-10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole;5-fluoranthen-3-yl-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole;7-fluoranthen-3-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole;5-(3-fluoranthen-3-ylphenyl)-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole;7-(3-fluoranthen-3-ylphenyl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 161437853
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-fluoranthen-3-ylcarbazole;2-[9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(3-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3-naphthalen-1-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(3-naphthalen-2-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(4-naphthalen-1-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]-9-phenylcarbazole
CID 160596580

Frequently Asked Questions

What is the IUPAC name of 12-[7-[9-(11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-9-phenylcarbazol-3-yl]-6-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene?
The IUPAC name of 12-[7-[9-(11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-9-phenylcarbazol-3-yl]-6-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene (CID 130330982) is 12-[7-[9-(11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-9-phenylcarbazol-3-yl]-6-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene.
What is the SMILES notation for 12-[7-[9-(11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-9-phenylcarbazol-3-yl]-6-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene?
The canonical SMILES for 12-[7-[9-(11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-9-phenylcarbazol-3-yl]-6-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c8c(cccc68)-c6ccc(-c8ccc9c(c8)c8ccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccc%11c%12c(cccc%10%12)-c%10cccnc%10-%11)cc8n9-c8ccccc8)nc6-7)ccc4n5-c4ccccc4)ccc32)cc1.
What is the InChIKey of 12-[7-[9-(11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-9-phenylcarbazol-3-yl]-6-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene?
The InChIKey is CVUVELAUIVKTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H56N6/c1-4-17-63(18-5-1)99-84-30-12-10-23-67(84)78-51-57(33-44-87(78)99)58-34-45-89-81(53-58)82-54-61(36-47-90(82)100(89)64-19-6-2-7-20-64)66-39-40-77-93-70(66)25-14-26-72(93)74-41-43-83(98-96(74)77)62-37-48-88-80(55-62)69-38-32-60(56-92(69)101(88)65-21-8-3-9-22-65)59-35-46-91-79(52-59)68-24-11-13-31-85(68)102(91)86-49-42-76-94-71(27-15-28-75(86)94)73-29-16-50-97-95(73)76/h1-56H.
What are the key properties of 12-[7-[9-(11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-9-phenylcarbazol-3-yl]-6-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene?
12-[7-[9-(11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-9-phenylcarbazol-3-yl]-6-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene has a molecular weight of 1293.55 g/mol, XLogP of 25.13, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[7-[9-(11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-9-phenylcarbazol-3-yl]-6-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene is sourced from PubChem (CID 130330982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).