12-phenyl-11-(3-phenylcarbazol-9-yl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole

C63H39N5O — CID 171591767

IUPAC12-phenyl-11-(3-phenylcarbazol-9-yl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5oc6ccc7c8cccc(-n9c%10ccccc%10c%10cc(-c%11ccccc%11)ccc%109)c8n(-c8ccccc8)c7c6c5c4)n3)cc2)cc1
InChIInChI=1S/C63H39N5O/c1-5-16-40(17-6-1)42-28-30-44(31-29-42)62-64-61(43-20-9-3-10-21-43)65-63(66-62)46-33-36-56-52(39-46)58-57(69-56)37-34-50-49-25-15-27-55(59(49)67(60(50)58)47-22-11-4-12-23-47)68-53-26-14-13-24-48(53)51-38-45(32-35-54(51)68)41-18-7-2-8-19-41/h1-39H
InChIKeyXLNRFSXWZCSMBN-UHFFFAOYSA-N
MW882.04 g/mol
LogP16.30
Rot. Bonds7

About 12-phenyl-11-(3-phenylcarbazol-9-yl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole

12-phenyl-11-(3-phenylcarbazol-9-yl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole (PubChem CID 171591767) has the molecular formula C63H39N5O and a molecular weight of 882.04 g/mol. Its IUPAC name is 12-phenyl-11-(3-phenylcarbazol-9-yl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

Compound Name12-phenyl-11-(3-phenylcarbazol-9-yl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
PubChem CID171591767
Molecular FormulaC63H39N5O
Molecular Weight882.04 g/mol
Exact Mass881.32
IUPAC Name12-phenyl-11-(3-phenylcarbazol-9-yl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5oc6ccc7c8cccc(-n9c%10ccccc%10c%10cc(-c%11ccccc%11)ccc%109)c8n(-c8ccccc8)c7c6c5c4)n3)cc2)cc1
InChIInChI=1S/C63H39N5O/c1-5-16-40(17-6-1)42-28-30-44(31-29-42)62-64-61(43-20-9-3-10-21-43)65-63(66-62)46-33-36-56-52(39-46)58-57(69-56)37-34-50-49-25-15-27-55(59(49)67(60(50)58)47-22-11-4-12-23-47)68-53-26-14-13-24-48(53)51-38-45(32-35-54(51)68)41-18-7-2-8-19-41/h1-39H
InChIKeyXLNRFSXWZCSMBN-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-(3-phenylphenyl)phenyl]-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
CID 163977496
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazole
CID 163629204
5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole
CID 134597913
12-phenyl-3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
CID 163960395
12-phenyl-2-(3-phenylcarbazol-9-yl)-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
CID 171591794
1-[3-[4-dibenzofuran-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole
CID 168807821
1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 154602228
3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 164705594
4-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 164705596
1-[4-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]-9-phenylcarbazole
CID 168807681
3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzofuran-1-yl)carbazole
CID 164821289
3-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 154602264

Frequently Asked Questions

What is the IUPAC name of 12-phenyl-11-(3-phenylcarbazol-9-yl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole?
The IUPAC name of 12-phenyl-11-(3-phenylcarbazol-9-yl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole (CID 171591767) is 12-phenyl-11-(3-phenylcarbazol-9-yl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole.
What is the SMILES notation for 12-phenyl-11-(3-phenylcarbazol-9-yl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole?
The canonical SMILES for 12-phenyl-11-(3-phenylcarbazol-9-yl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5oc6ccc7c8cccc(-n9c%10ccccc%10c%10cc(-c%11ccccc%11)ccc%109)c8n(-c8ccccc8)c7c6c5c4)n3)cc2)cc1.
What is the InChIKey of 12-phenyl-11-(3-phenylcarbazol-9-yl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole?
The InChIKey is XLNRFSXWZCSMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N5O/c1-5-16-40(17-6-1)42-28-30-44(31-29-42)62-64-61(43-20-9-3-10-21-43)65-63(66-62)46-33-36-56-52(39-46)58-57(69-56)37-34-50-49-25-15-27-55(59(49)67(60(50)58)47-22-11-4-12-23-47)68-53-26-14-13-24-48(53)51-38-45(32-35-54(51)68)41-18-7-2-8-19-41/h1-39H.
What are the key properties of 12-phenyl-11-(3-phenylcarbazol-9-yl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole?
12-phenyl-11-(3-phenylcarbazol-9-yl)-2-[4-phenyl-6-(4-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-phenyl-11-(3-phenylcarbazol-9-yl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 171591767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).