10-naphthalen-1-yl-7-(4-naphtho[2,1-b][1]benzofuran-5-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole

C51H30N4O — CID 155485454

IUPAC10-naphthalen-1-yl-7-(4-naphtho[2,1-b][1]benzofuran-5-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
SMILESc1ccc(-c2nc(-c3cc4oc5ccccc5c4c4ccccc34)nc(-n3c4ccc(-c5cccc6ccccc56)cc4c4c5ccccc5ccc43)n2)cc1
InChIInChI=1S/C51H30N4O/c1-2-15-33(16-3-1)49-52-50(41-30-46-48(39-21-9-8-20-38(39)41)40-22-10-11-24-45(40)56-46)54-51(53-49)55-43-27-26-34(36-23-12-17-31-13-4-6-18-35(31)36)29-42(43)47-37-19-7-5-14-32(37)25-28-44(47)55/h1-30H
InChIKeyWKOVIQXTJSJIBU-UHFFFAOYSA-N
MW714.83 g/mol
LogP13.33
Rot. Bonds4

About 10-naphthalen-1-yl-7-(4-naphtho[2,1-b][1]benzofuran-5-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole

10-naphthalen-1-yl-7-(4-naphtho[2,1-b][1]benzofuran-5-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole (PubChem CID 155485454) has the molecular formula C51H30N4O and a molecular weight of 714.83 g/mol. Its IUPAC name is 10-naphthalen-1-yl-7-(4-naphtho[2,1-b][1]benzofuran-5-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole.

Molecular Properties

Compound Name10-naphthalen-1-yl-7-(4-naphtho[2,1-b][1]benzofuran-5-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
PubChem CID155485454
Molecular FormulaC51H30N4O
Molecular Weight714.83 g/mol
Exact Mass714.24
IUPAC Name10-naphthalen-1-yl-7-(4-naphtho[2,1-b][1]benzofuran-5-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
SMILESc1ccc(-c2nc(-c3cc4oc5ccccc5c4c4ccccc34)nc(-n3c4ccc(-c5cccc6ccccc56)cc4c4c5ccccc5ccc43)n2)cc1
InChIInChI=1S/C51H30N4O/c1-2-15-33(16-3-1)49-52-50(41-30-46-48(39-21-9-8-20-38(39)41)40-22-10-11-24-45(40)56-46)54-51(53-49)55-43-27-26-34(36-23-12-17-31-13-4-6-18-35(31)36)29-42(43)47-37-19-7-5-14-32(37)25-28-44(47)55/h1-30H
InChIKeyWKOVIQXTJSJIBU-UHFFFAOYSA-N
XLogP13.33
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.83
LogP ≤ 513.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazin-2-yl)-10-phenylbenzo[c]carbazole
CID 155485233
7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-8-naphtho[2,1-b][1]benzofuran-10-ylbenzo[c]carbazole
CID 142571239
7-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-10-(4-phenylphenyl)benzo[c]carbazole
CID 164847964
10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole
CID 163799058
10-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole
CID 138475112
7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 166915499
10-naphtho[2,1-b][1]benzofuran-5-yl-7-(4-phenyl-5,6-dihydroquinazolin-2-yl)benzo[c]carbazole
CID 154968803
7-(4-naphtho[2,1-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazin-2-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 155485428
7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-10-phenylbenzo[c]carbazole
CID 118133197
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylcarbazole
CID 118888358
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-naphthalen-1-yl-9-phenylcarbazole
CID 154602051
12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-dibenzofuran-1-ylphenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 155475122

Frequently Asked Questions

What is the IUPAC name of 10-naphthalen-1-yl-7-(4-naphtho[2,1-b][1]benzofuran-5-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole?
The IUPAC name of 10-naphthalen-1-yl-7-(4-naphtho[2,1-b][1]benzofuran-5-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole (CID 155485454) is 10-naphthalen-1-yl-7-(4-naphtho[2,1-b][1]benzofuran-5-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole.
What is the SMILES notation for 10-naphthalen-1-yl-7-(4-naphtho[2,1-b][1]benzofuran-5-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole?
The canonical SMILES for 10-naphthalen-1-yl-7-(4-naphtho[2,1-b][1]benzofuran-5-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole is c1ccc(-c2nc(-c3cc4oc5ccccc5c4c4ccccc34)nc(-n3c4ccc(-c5cccc6ccccc56)cc4c4c5ccccc5ccc43)n2)cc1.
What is the InChIKey of 10-naphthalen-1-yl-7-(4-naphtho[2,1-b][1]benzofuran-5-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole?
The InChIKey is WKOVIQXTJSJIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4O/c1-2-15-33(16-3-1)49-52-50(41-30-46-48(39-21-9-8-20-38(39)41)40-22-10-11-24-45(40)56-46)54-51(53-49)55-43-27-26-34(36-23-12-17-31-13-4-6-18-35(31)36)29-42(43)47-37-19-7-5-14-32(37)25-28-44(47)55/h1-30H.
What are the key properties of 10-naphthalen-1-yl-7-(4-naphtho[2,1-b][1]benzofuran-5-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole?
10-naphthalen-1-yl-7-(4-naphtho[2,1-b][1]benzofuran-5-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole has a molecular weight of 714.83 g/mol, XLogP of 13.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-naphthalen-1-yl-7-(4-naphtho[2,1-b][1]benzofuran-5-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole is sourced from PubChem (CID 155485454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).