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

C63H39N5O — CID 139303243

IUPAC12-[4-[4-(2-carbazol-9-yl-5-phenylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc(-c5cc(-c6ccccc6)ccc5-n5c6ccccc6c6ccccc65)cc4)nc(-n4c5ccccc5c5ccc6oc7ccccc7c6c54)n3)c2)cc1
InChIInChI=1S/C63H39N5O/c1-3-16-40(17-4-1)44-20-15-21-46(38-44)62-64-61(65-63(66-62)68-55-28-13-9-24-49(55)50-35-37-58-59(60(50)68)51-25-10-14-29-57(51)69-58)43-32-30-42(31-33-43)52-39-45(41-18-5-2-6-19-41)34-36-56(52)67-53-26-11-7-22-47(53)48-23-8-12-27-54(48)67/h1-39H
InChIKeyDVIVICDWVNJGDQ-UHFFFAOYSA-N
MW882.04 g/mol
LogP16.30
Rot. Bonds7

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

12-[4-[4-(2-carbazol-9-yl-5-phenylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole (PubChem CID 139303243) has the molecular formula C63H39N5O and a molecular weight of 882.04 g/mol. Its IUPAC name is 12-[4-[4-(2-carbazol-9-yl-5-phenylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

Compound Name12-[4-[4-(2-carbazol-9-yl-5-phenylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
PubChem CID139303243
Molecular FormulaC63H39N5O
Molecular Weight882.04 g/mol
Exact Mass881.32
IUPAC Name12-[4-[4-(2-carbazol-9-yl-5-phenylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc(-c5cc(-c6ccccc6)ccc5-n5c6ccccc6c6ccccc65)cc4)nc(-n4c5ccccc5c5ccc6oc7ccccc7c6c54)n3)c2)cc1
InChIInChI=1S/C63H39N5O/c1-3-16-40(17-4-1)44-20-15-21-46(38-44)62-64-61(65-63(66-62)68-55-28-13-9-24-49(55)50-35-37-58-59(60(50)68)51-25-10-14-29-57(51)69-58)43-32-30-42(31-33-43)52-39-45(41-18-5-2-6-19-41)34-36-56(52)67-53-26-11-7-22-47(53)48-23-8-12-27-54(48)67/h1-39H
InChIKeyDVIVICDWVNJGDQ-UHFFFAOYSA-N
XLogP16.30
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500882.04
LogP ≤ 516.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
CID 129141729
12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(2,4-diphenylphenyl)indolo[2,3-a]carbazole
CID 165165585
9-[4-(4-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-dibenzofuran-2-ylcarbazole
CID 139303631
9-[4-[4-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-(3-phenylphenyl)phenyl]carbazole
CID 139303441
9-[2-[4-[4-carbazol-9-yl-6-[4-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole
CID 139303352
12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-a]carbazole
CID 176837422
9-[2-[4-[4-carbazol-9-yl-6-[3-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole
CID 139303815
11-[2-phenyl-4-(4-phenylphenyl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 167154429
12-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-a]carbazole
CID 118888305
12-[2-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
CID 164932814
2-phenyl-9-[2-phenyl-4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170539049
12-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
CID 164954211

Frequently Asked Questions

What is the IUPAC name of 12-[4-[4-(2-carbazol-9-yl-5-phenylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole?
The IUPAC name of 12-[4-[4-(2-carbazol-9-yl-5-phenylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole (CID 139303243) is 12-[4-[4-(2-carbazol-9-yl-5-phenylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole.
What is the SMILES notation for 12-[4-[4-(2-carbazol-9-yl-5-phenylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole?
The canonical SMILES for 12-[4-[4-(2-carbazol-9-yl-5-phenylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole is c1ccc(-c2cccc(-c3nc(-c4ccc(-c5cc(-c6ccccc6)ccc5-n5c6ccccc6c6ccccc65)cc4)nc(-n4c5ccccc5c5ccc6oc7ccccc7c6c54)n3)c2)cc1.
What is the InChIKey of 12-[4-[4-(2-carbazol-9-yl-5-phenylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole?
The InChIKey is DVIVICDWVNJGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N5O/c1-3-16-40(17-4-1)44-20-15-21-46(38-44)62-64-61(65-63(66-62)68-55-28-13-9-24-49(55)50-35-37-58-59(60(50)68)51-25-10-14-29-57(51)69-58)43-32-30-42(31-33-43)52-39-45(41-18-5-2-6-19-41)34-36-56(52)67-53-26-11-7-22-47(53)48-23-8-12-27-54(48)67/h1-39H.
What are the key properties of 12-[4-[4-(2-carbazol-9-yl-5-phenylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole?
12-[4-[4-(2-carbazol-9-yl-5-phenylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole has a molecular weight of 882.04 g/mol, XLogP of 16.30, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-[4-(2-carbazol-9-yl-5-phenylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 139303243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).