10-carbazol-9-yl-12-phenyl-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole

C57H35N5O — CID 171591825

IUPAC10-carbazol-9-yl-12-phenyl-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c6ccc7c8cccc(-n9c%10ccccc%10c%10ccccc%109)c8oc7c6n(-c6ccccc6)c45)n3)cc2)cc1
InChIInChI=1S/C57H35N5O/c1-4-16-36(17-5-1)37-30-32-39(33-31-37)56-58-55(38-18-6-2-7-19-38)59-57(60-56)47-26-14-24-43-44-34-35-46-45-25-15-29-50(62-48-27-12-10-22-41(48)42-23-11-13-28-49(42)62)53(45)63-54(46)52(44)61(51(43)47)40-20-8-3-9-21-40/h1-35H
InChIKeyFPIYKGMRRJOQIJ-UHFFFAOYSA-N
MW805.94 g/mol
LogP14.63
Rot. Bonds6

About 10-carbazol-9-yl-12-phenyl-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole

10-carbazol-9-yl-12-phenyl-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole (PubChem CID 171591825) has the molecular formula C57H35N5O and a molecular weight of 805.94 g/mol. Its IUPAC name is 10-carbazol-9-yl-12-phenyl-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name10-carbazol-9-yl-12-phenyl-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
PubChem CID171591825
Molecular FormulaC57H35N5O
Molecular Weight805.94 g/mol
Exact Mass805.28
IUPAC Name10-carbazol-9-yl-12-phenyl-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c6ccc7c8cccc(-n9c%10ccccc%10c%10ccccc%109)c8oc7c6n(-c6ccccc6)c45)n3)cc2)cc1
InChIInChI=1S/C57H35N5O/c1-4-16-36(17-5-1)37-30-32-39(33-31-37)56-58-55(38-18-6-2-7-19-38)59-57(60-56)47-26-14-24-43-44-34-35-46-45-25-15-29-50(62-48-27-12-10-22-41(48)42-23-11-13-28-49(42)62)53(45)63-54(46)52(44)61(51(43)47)40-20-8-3-9-21-40/h1-35H
InChIKeyFPIYKGMRRJOQIJ-UHFFFAOYSA-N
XLogP14.63
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.94
LogP ≤ 514.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

10-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 171591828
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-(4-phenylphenyl)-12-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 165032015
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-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 163856117
1-carbazol-9-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 171591687
12-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-18-(3-phenylphenyl)-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 162701765
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-1-(9-phenylcarbazol-1-yl)-[1]benzofuro[2,3-a]carbazole
CID 171591603
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-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 162701783
9-(9-phenyldibenzofuran-4-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080349
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

Frequently Asked Questions

What is the IUPAC name of 10-carbazol-9-yl-12-phenyl-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 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) is 10-carbazol-9-yl-12-phenyl-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 10-carbazol-9-yl-12-phenyl-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 10-carbazol-9-yl-12-phenyl-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c6ccc7c8cccc(-n9c%10ccccc%10c%10ccccc%109)c8oc7c6n(-c6ccccc6)c45)n3)cc2)cc1.
What is the InChIKey of 10-carbazol-9-yl-12-phenyl-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole?
The InChIKey is FPIYKGMRRJOQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5O/c1-4-16-36(17-5-1)37-30-32-39(33-31-37)56-58-55(38-18-6-2-7-19-38)59-57(60-56)47-26-14-24-43-44-34-35-46-45-25-15-29-50(62-48-27-12-10-22-41(48)42-23-11-13-28-49(42)62)53(45)63-54(46)52(44)61(51(43)47)40-20-8-3-9-21-40/h1-35H.
What are the key properties of 10-carbazol-9-yl-12-phenyl-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole?
10-carbazol-9-yl-12-phenyl-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole has a molecular weight of 805.94 g/mol, XLogP of 14.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-carbazol-9-yl-12-phenyl-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 171591825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).