10-(4-phenylphenyl)-12-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole

C57H36N4O — CID 165032015

IUPAC10-(4-phenylphenyl)-12-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4-n4c5ccccc5c5ccc6c7cccc(-c8ccc(-c9ccccc9)cc8)c7oc6c54)n3)cc2)cc1
InChIInChI=1S/C57H36N4O/c1-4-15-37(16-5-1)39-27-31-41(32-28-39)44-23-14-24-47-48-36-35-46-45-21-10-12-25-50(45)61(52(46)54(48)62-53(44)47)51-26-13-11-22-49(51)57-59-55(42-19-8-3-9-20-42)58-56(60-57)43-33-29-40(30-34-43)38-17-6-2-7-18-38/h1-36H
InChIKeyPZYDMMBSCKHQKU-UHFFFAOYSA-N
MW792.94 g/mol
LogP14.87
Rot. Bonds7

About 10-(4-phenylphenyl)-12-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole

10-(4-phenylphenyl)-12-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole (PubChem CID 165032015) has the molecular formula C57H36N4O and a molecular weight of 792.94 g/mol. Its IUPAC name is 10-(4-phenylphenyl)-12-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name10-(4-phenylphenyl)-12-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
PubChem CID165032015
Molecular FormulaC57H36N4O
Molecular Weight792.94 g/mol
Exact Mass792.29
IUPAC Name10-(4-phenylphenyl)-12-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4-n4c5ccccc5c5ccc6c7cccc(-c8ccc(-c9ccccc9)cc8)c7oc6c54)n3)cc2)cc1
InChIInChI=1S/C57H36N4O/c1-4-15-37(16-5-1)39-27-31-41(32-28-39)44-23-14-24-47-48-36-35-46-45-21-10-12-25-50(45)61(52(46)54(48)62-53(44)47)51-26-13-11-22-49(51)57-59-55(42-19-8-3-9-20-42)58-56(60-57)43-33-29-40(30-34-43)38-17-6-2-7-18-38/h1-36H
InChIKeyPZYDMMBSCKHQKU-UHFFFAOYSA-N
XLogP14.87
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.94
LogP ≤ 514.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

12-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenyl-[1]benzofuro[2,3-a]carbazole;12-[2-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10-phenyl-[1]benzofuro[2,3-a]carbazole;10-phenyl-12-[2-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;10-phenyl-12-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;10-phenyl-12-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 164977995
12-(4-phenylphenyl)-18-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 162701637
12-phenyl-18-[2-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 162701623
10-(3-phenylphenyl)-12-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;10-phenyl-12-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 165102358
12-[3-(4-phenylphenyl)phenyl]-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163856123
10-carbazol-9-yl-12-phenyl-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 171591825
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 163856117
9-[6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-4-yl]carbazole
CID 169011187
2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 164797297
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-8,10-diphenyl-[1]benzofuro[2,3-a]carbazole
CID 164757777
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-naphthalen-2-yl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-naphthalen-2-yl-18-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-(2-phenylphenyl)-18-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 163656132
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-8,10-diphenyl-[1]benzofuro[2,3-a]carbazole;8,10-diphenyl-12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole;8,10-diphenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,10-diphenyl-[1]benzofuro[2,3-a]carbazole
CID 164991782

Frequently Asked Questions

What is the IUPAC name of 10-(4-phenylphenyl)-12-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 10-(4-phenylphenyl)-12-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole (CID 165032015) is 10-(4-phenylphenyl)-12-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 10-(4-phenylphenyl)-12-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 10-(4-phenylphenyl)-12-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4-n4c5ccccc5c5ccc6c7cccc(-c8ccc(-c9ccccc9)cc8)c7oc6c54)n3)cc2)cc1.
What is the InChIKey of 10-(4-phenylphenyl)-12-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole?
The InChIKey is PZYDMMBSCKHQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4O/c1-4-15-37(16-5-1)39-27-31-41(32-28-39)44-23-14-24-47-48-36-35-46-45-21-10-12-25-50(45)61(52(46)54(48)62-53(44)47)51-26-13-11-22-49(51)57-59-55(42-19-8-3-9-20-42)58-56(60-57)43-33-29-40(30-34-43)38-17-6-2-7-18-38/h1-36H.
What are the key properties of 10-(4-phenylphenyl)-12-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole?
10-(4-phenylphenyl)-12-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole has a molecular weight of 792.94 g/mol, XLogP of 14.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-phenylphenyl)-12-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 165032015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).