5-phenyl-11-[4-[14-[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-octaen-12-yl]phenyl]indolo[3,2-b]carbazole

C80H48N6 — CID 121444232

IUPAC5-phenyl-11-[4-[14-[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-octaen-12-yl]phenyl]indolo[3,2-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc(-c6ccc(-n7c8ccccc8c8cc9c(cc87)c7ccccc7n9-c7ccccc7)cc6)nc6c5-c5cccc7cccc-6c57)cc4)ccc32)cc1
InChIInChI=1S/C80H48N6/c1-3-19-54(20-4-1)83-68-29-11-7-23-58(68)64-45-52(37-43-72(64)83)53-38-44-73-65(46-53)59-24-8-12-30-69(59)84(73)56-39-33-50(34-40-56)78-77-62-27-15-17-49-18-16-28-63(76(49)62)79(77)82-80(81-78)51-35-41-57(42-36-51)86-71-32-14-10-26-61(71)67-47-74-66(48-75(67)86)60-25-9-13-31-70(60)85(74)55-21-5-2-6-22-55/h1-48H
InChIKeyJERWHHFUOSWHAD-UHFFFAOYSA-N
MW1093.31 g/mol
LogP20.67
Rot. Bonds7

About 5-phenyl-11-[4-[14-[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-octaen-12-yl]phenyl]indolo[3,2-b]carbazole

5-phenyl-11-[4-[14-[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-octaen-12-yl]phenyl]indolo[3,2-b]carbazole (PubChem CID 121444232) has the molecular formula C80H48N6 and a molecular weight of 1093.31 g/mol. Its IUPAC name is 5-phenyl-11-[4-[14-[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-octaen-12-yl]phenyl]indolo[3,2-b]carbazole.

Molecular Properties

Compound Name5-phenyl-11-[4-[14-[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-octaen-12-yl]phenyl]indolo[3,2-b]carbazole
PubChem CID121444232
Molecular FormulaC80H48N6
Molecular Weight1093.31 g/mol
Exact Mass1092.39
IUPAC Name5-phenyl-11-[4-[14-[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-octaen-12-yl]phenyl]indolo[3,2-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc(-c6ccc(-n7c8ccccc8c8cc9c(cc87)c7ccccc7n9-c7ccccc7)cc6)nc6c5-c5cccc7cccc-6c57)cc4)ccc32)cc1
InChIInChI=1S/C80H48N6/c1-3-19-54(20-4-1)83-68-29-11-7-23-58(68)64-45-52(37-43-72(64)83)53-38-44-73-65(46-53)59-24-8-12-30-69(59)84(73)56-39-33-50(34-40-56)78-77-62-27-15-17-49-18-16-28-63(76(49)62)79(77)82-80(81-78)51-35-41-57(42-36-51)86-71-32-14-10-26-61(71)67-47-74-66(48-75(67)86)60-25-9-13-31-70(60)85(74)55-21-5-2-6-22-55/h1-48H
InChIKeyJERWHHFUOSWHAD-UHFFFAOYSA-N
XLogP20.67
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001093.31
LogP ≤ 520.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-phenyl-11-[4-[14-[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-octaen-12-yl]phenyl]indolo[3,2-b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-11-[4-[14-[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-octaen-12-yl]phenyl]indolo[3,2-b]carbazole?
The IUPAC name of 5-phenyl-11-[4-[14-[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-octaen-12-yl]phenyl]indolo[3,2-b]carbazole (CID 121444232) is 5-phenyl-11-[4-[14-[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-octaen-12-yl]phenyl]indolo[3,2-b]carbazole.
What is the SMILES notation for 5-phenyl-11-[4-[14-[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-octaen-12-yl]phenyl]indolo[3,2-b]carbazole?
The canonical SMILES for 5-phenyl-11-[4-[14-[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-octaen-12-yl]phenyl]indolo[3,2-b]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc(-c6ccc(-n7c8ccccc8c8cc9c(cc87)c7ccccc7n9-c7ccccc7)cc6)nc6c5-c5cccc7cccc-6c57)cc4)ccc32)cc1.
What is the InChIKey of 5-phenyl-11-[4-[14-[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-octaen-12-yl]phenyl]indolo[3,2-b]carbazole?
The InChIKey is JERWHHFUOSWHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H48N6/c1-3-19-54(20-4-1)83-68-29-11-7-23-58(68)64-45-52(37-43-72(64)83)53-38-44-73-65(46-53)59-24-8-12-30-69(59)84(73)56-39-33-50(34-40-56)78-77-62-27-15-17-49-18-16-28-63(76(49)62)79(77)82-80(81-78)51-35-41-57(42-36-51)86-71-32-14-10-26-61(71)67-47-74-66(48-75(67)86)60-25-9-13-31-70(60)85(74)55-21-5-2-6-22-55/h1-48H.
What are the key properties of 5-phenyl-11-[4-[14-[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-octaen-12-yl]phenyl]indolo[3,2-b]carbazole?
5-phenyl-11-[4-[14-[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-octaen-12-yl]phenyl]indolo[3,2-b]carbazole has a molecular weight of 1093.31 g/mol, XLogP of 20.67, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-11-[4-[14-[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-octaen-12-yl]phenyl]indolo[3,2-b]carbazole is sourced from PubChem (CID 121444232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).