12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-5-phenylindolo[3,2-c]carbazole

C55H33N5O — CID 164707749

IUPAC12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-5-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4oc5c(-n6c7ccccc7c7ccc8c(c9ccccc9n8-c8ccccc8)c76)cccc5c4c4ccccc34)n2)cc1
InChIInChI=1S/C55H33N5O/c1-4-17-34(18-5-1)53-56-54(35-19-6-2-7-20-35)58-55(57-53)43-33-48-49(39-25-11-10-23-37(39)43)42-27-16-30-47(52(42)61-48)60-44-28-14-12-24-38(44)40-31-32-46-50(51(40)60)41-26-13-15-29-45(41)59(46)36-21-8-3-9-22-36/h1-33H
InChIKeyWTUWZVKPZSKACK-UHFFFAOYSA-N
MW779.90 g/mol
LogP14.12
Rot. Bonds5

About 12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-5-phenylindolo[3,2-c]carbazole

12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-5-phenylindolo[3,2-c]carbazole (PubChem CID 164707749) has the molecular formula C55H33N5O and a molecular weight of 779.90 g/mol. Its IUPAC name is 12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-5-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-5-phenylindolo[3,2-c]carbazole
PubChem CID164707749
Molecular FormulaC55H33N5O
Molecular Weight779.90 g/mol
Exact Mass779.27
IUPAC Name12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-5-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4oc5c(-n6c7ccccc7c7ccc8c(c9ccccc9n8-c8ccccc8)c76)cccc5c4c4ccccc34)n2)cc1
InChIInChI=1S/C55H33N5O/c1-4-17-34(18-5-1)53-56-54(35-19-6-2-7-20-35)58-55(57-53)43-33-48-49(39-25-11-10-23-37(39)43)42-27-16-30-47(52(42)61-48)60-44-28-14-12-24-38(44)40-31-32-46-50(51(40)60)41-26-13-15-29-45(41)59(46)36-21-8-3-9-22-36/h1-33H
InChIKeyWTUWZVKPZSKACK-UHFFFAOYSA-N
XLogP14.12
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.90
LogP ≤ 514.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-[4,6-bis[2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-12-phenylindolo[3,2-c]carbazole;5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-(11-phenylindolo[2,3-a]carbazol-12-yl)dibenzofuran-4-yl]-12-phenylindolo[3,2-c]carbazole
CID 159940047
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-11-(1-phenylcarbazol-9-yl)-[1]benzofuro[3,2-c]carbazole
CID 171591577
16-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-7-(2-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 171591537
12-phenyl-5-[4-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 169014994
12-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole
CID 158564648
5-[7-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-12-phenylindolo[3,2-c]carbazole
CID 165165988
5-phenyl-12-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 169014966
12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-5-phenylindolo[3,2-c]carbazole
CID 118699664
12-phenyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]indolo[3,2-c]carbazole
CID 155158723
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]indole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 157300404
8-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 163505765
5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole
CID 134597913

Frequently Asked Questions

What is the IUPAC name of 12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-5-phenylindolo[3,2-c]carbazole?
The IUPAC name of 12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-5-phenylindolo[3,2-c]carbazole (CID 164707749) is 12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-5-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-5-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-5-phenylindolo[3,2-c]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4oc5c(-n6c7ccccc7c7ccc8c(c9ccccc9n8-c8ccccc8)c76)cccc5c4c4ccccc34)n2)cc1.
What is the InChIKey of 12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-5-phenylindolo[3,2-c]carbazole?
The InChIKey is WTUWZVKPZSKACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N5O/c1-4-17-34(18-5-1)53-56-54(35-19-6-2-7-20-35)58-55(57-53)43-33-48-49(39-25-11-10-23-37(39)43)42-27-16-30-47(52(42)61-48)60-44-28-14-12-24-38(44)40-31-32-46-50(51(40)60)41-26-13-15-29-45(41)59(46)36-21-8-3-9-22-36/h1-33H.
What are the key properties of 12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-5-phenylindolo[3,2-c]carbazole?
12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-5-phenylindolo[3,2-c]carbazole has a molecular weight of 779.90 g/mol, XLogP of 14.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-5-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 164707749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).