4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]tetrazolo[1,5-a]quinoxaline

C50H30N8 — CID 172994580

IUPAC4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]tetrazolo[1,5-a]quinoxaline
SMILESc1ccc2c(c1)nc(-c1ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc1)c1nnnn12
InChIInChI=1S/C50H30N8/c1-6-16-42-35(11-1)36-12-2-7-17-43(36)56(42)33-25-27-46-39(29-33)40-30-34(57-44-18-8-3-13-37(44)38-14-4-9-19-45(38)57)26-28-47(40)55(46)32-23-21-31(22-24-32)49-50-52-53-54-58(50)48-20-10-5-15-41(48)51-49/h1-30H
InChIKeyZXWJJUUVPZGEDS-UHFFFAOYSA-N
MW742.85 g/mol
LogP11.63
Rot. Bonds4

About 4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]tetrazolo[1,5-a]quinoxaline

4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]tetrazolo[1,5-a]quinoxaline (PubChem CID 172994580) has the molecular formula C50H30N8 and a molecular weight of 742.85 g/mol. Its IUPAC name is 4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]tetrazolo[1,5-a]quinoxaline.

Molecular Properties

Compound Name4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]tetrazolo[1,5-a]quinoxaline
PubChem CID172994580
Molecular FormulaC50H30N8
Molecular Weight742.85 g/mol
Exact Mass742.26
IUPAC Name4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]tetrazolo[1,5-a]quinoxaline
SMILESc1ccc2c(c1)nc(-c1ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc1)c1nnnn12
InChIInChI=1S/C50H30N8/c1-6-16-42-35(11-1)36-12-2-7-17-43(36)56(42)33-25-27-46-39(29-33)40-30-34(57-44-18-8-3-13-37(44)38-14-4-9-19-45(38)57)26-28-47(40)55(46)32-23-21-31(22-24-32)49-50-52-53-54-58(50)48-20-10-5-15-41(48)51-49/h1-30H
InChIKeyZXWJJUUVPZGEDS-UHFFFAOYSA-N
XLogP11.63
TPSA70.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.85
LogP ≤ 511.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-benzo[b]carbazol-5-yl-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole
CID 146375026
9-phenyl-3-(4-phenylphenyl)-6-[9-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 59489317
14-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123341
9-[4-(3-phenylphenyl)phenyl]-3-[4-[3-[4-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole
CID 59702563
9-[4-(3-bromoquinoxalin-2-yl)phenyl]carbazole
CID 121327158
2,3-bis[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;2-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline
CID 164980722
3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 149208011
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-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 148633406
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
4-(3,6-ditert-butylcarbazol-9-yl)tetrazolo[1,5-a]quinoxaline
CID 172994583
22-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121474855

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]tetrazolo[1,5-a]quinoxaline?
The IUPAC name of 4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]tetrazolo[1,5-a]quinoxaline (CID 172994580) is 4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]tetrazolo[1,5-a]quinoxaline.
What is the SMILES notation for 4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]tetrazolo[1,5-a]quinoxaline?
The canonical SMILES for 4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]tetrazolo[1,5-a]quinoxaline is c1ccc2c(c1)nc(-c1ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc1)c1nnnn12.
What is the InChIKey of 4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]tetrazolo[1,5-a]quinoxaline?
The InChIKey is ZXWJJUUVPZGEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N8/c1-6-16-42-35(11-1)36-12-2-7-17-43(36)56(42)33-25-27-46-39(29-33)40-30-34(57-44-18-8-3-13-37(44)38-14-4-9-19-45(38)57)26-28-47(40)55(46)32-23-21-31(22-24-32)49-50-52-53-54-58(50)48-20-10-5-15-41(48)51-49/h1-30H.
What are the key properties of 4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]tetrazolo[1,5-a]quinoxaline?
4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]tetrazolo[1,5-a]quinoxaline has a molecular weight of 742.85 g/mol, XLogP of 11.63, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]tetrazolo[1,5-a]quinoxaline is sourced from PubChem (CID 172994580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).