12-[9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-11-phenylindolo[2,3-a]carbazole

C63H39N5O — CID 130231332

IUPAC12-[9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc5oc6ccc(-n7c8ccccc8c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c87)cc6c45)n3)c2)cc1
InChIInChI=1S/C63H39N5O/c1-4-17-40(18-5-1)42-21-14-23-44(37-42)61-64-62(45-24-15-22-43(38-45)41-19-6-2-7-20-41)66-63(65-61)52-29-16-32-57-58(52)53-39-47(33-36-56(53)69-57)68-55-31-13-11-28-49(55)51-35-34-50-48-27-10-12-30-54(48)67(59(50)60(51)68)46-25-8-3-9-26-46/h1-39H
InChIKeyURYPBJRASXFVPV-UHFFFAOYSA-N
MW882.04 g/mol
LogP16.30
Rot. Bonds7

About 12-[9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-11-phenylindolo[2,3-a]carbazole

12-[9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-11-phenylindolo[2,3-a]carbazole (PubChem CID 130231332) has the molecular formula C63H39N5O and a molecular weight of 882.04 g/mol. Its IUPAC name is 12-[9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-11-phenylindolo[2,3-a]carbazole
PubChem CID130231332
Molecular FormulaC63H39N5O
Molecular Weight882.04 g/mol
Exact Mass881.32
IUPAC Name12-[9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc5oc6ccc(-n7c8ccccc8c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c87)cc6c45)n3)c2)cc1
InChIInChI=1S/C63H39N5O/c1-4-17-40(18-5-1)42-21-14-23-44(37-42)61-64-62(45-24-15-22-43(38-45)41-19-6-2-7-20-41)66-63(65-61)52-29-16-32-57-58(52)53-39-47(33-36-56(53)69-57)68-55-31-13-11-28-49(55)51-35-34-50-48-27-10-12-30-54(48)67(59(50)60(51)68)46-25-8-3-9-26-46/h1-39H
InChIKeyURYPBJRASXFVPV-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

1-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;1-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazole;1-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 163485855
12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-5-phenylindolo[3,2-c]carbazole
CID 118699664
9-(9-phenyldibenzofuran-2-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080111
1-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768360
3-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 154602264
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[9-(2-phenylphenyl)dibenzofuran-2-yl]carbazole
CID 170080122
2-[4-dibenzofuran-1-yl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 171445377
11-(3-phenylphenyl)-12-[4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 164758308
12-[3-(4-phenylphenyl)phenyl]-7-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163547856
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
9-[3-(3,5-diphenylphenyl)phenyl]-3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[8-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 167377414
9-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
CID 166953309

Frequently Asked Questions

What is the IUPAC name of 12-[9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 12-[9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-11-phenylindolo[2,3-a]carbazole (CID 130231332) is 12-[9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-[9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-[9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-11-phenylindolo[2,3-a]carbazole is c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc5oc6ccc(-n7c8ccccc8c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c87)cc6c45)n3)c2)cc1.
What is the InChIKey of 12-[9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-11-phenylindolo[2,3-a]carbazole?
The InChIKey is URYPBJRASXFVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N5O/c1-4-17-40(18-5-1)42-21-14-23-44(37-42)61-64-62(45-24-15-22-43(38-45)41-19-6-2-7-20-41)66-63(65-61)52-29-16-32-57-58(52)53-39-47(33-36-56(53)69-57)68-55-31-13-11-28-49(55)51-35-34-50-48-27-10-12-30-54(48)67(59(50)60(51)68)46-25-8-3-9-26-46/h1-39H.
What are the key properties of 12-[9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-11-phenylindolo[2,3-a]carbazole?
12-[9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-11-phenylindolo[2,3-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-[9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 130231332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).