11-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[a]carbazole

C51H30N4O — CID 163853213

IUPAC11-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[a]carbazole
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4c(-n5c6ccccc6c6ccc7ccccc7c65)cc5oc6ccccc6c5c4c3)n2)cc1
InChIInChI=1S/C51H30N4O/c1-2-14-33(15-3-1)49-52-50(35-23-22-31-12-4-5-16-34(31)28-35)54-51(53-49)36-25-26-39-42(29-36)47-41-19-9-11-21-45(41)56-46(47)30-44(39)55-43-20-10-8-18-38(43)40-27-24-32-13-6-7-17-37(32)48(40)55/h1-30H
InChIKeyOWCQEDHHGZFNKW-UHFFFAOYSA-N
MW714.83 g/mol
LogP13.33
Rot. Bonds4

About 11-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[a]carbazole

11-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[a]carbazole (PubChem CID 163853213) has the molecular formula C51H30N4O and a molecular weight of 714.83 g/mol. Its IUPAC name is 11-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[a]carbazole.

Molecular Properties

Compound Name11-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[a]carbazole
PubChem CID163853213
Molecular FormulaC51H30N4O
Molecular Weight714.83 g/mol
Exact Mass714.24
IUPAC Name11-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[a]carbazole
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4c(-n5c6ccccc6c6ccc7ccccc7c65)cc5oc6ccccc6c5c4c3)n2)cc1
InChIInChI=1S/C51H30N4O/c1-2-14-33(15-3-1)49-52-50(35-23-22-31-12-4-5-16-34(31)28-35)54-51(53-49)36-25-26-39-42(29-36)47-41-19-9-11-21-45(41)56-46(47)30-44(39)55-43-20-10-8-18-38(43)40-27-24-32-13-6-7-17-37(32)48(40)55/h1-30H
InChIKeyOWCQEDHHGZFNKW-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

11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[a]carbazole
CID 164847730
11-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]benzo[a]carbazole
CID 164847979
9-[1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
CID 167032751
5-[10-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole
CID 163845474
11-[4-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole
CID 167032232
10-dibenzofuran-1-yl-11-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole
CID 142569857
5-[5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[b]carbazole;9-[5-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]carbazole;bis(9-[5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]carbazole);11-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[a]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[b]carbazole
CID 165000310
5-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole
CID 163768078
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzofuro[3,2-a]carbazole
CID 146976667
9-(4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 166916763
12-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 166915926
12-[9-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-5-yl]-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 163464908

Frequently Asked Questions

What is the IUPAC name of 11-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[a]carbazole?
The IUPAC name of 11-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[a]carbazole (CID 163853213) is 11-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[a]carbazole.
What is the SMILES notation for 11-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[a]carbazole?
The canonical SMILES for 11-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[a]carbazole is c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4c(-n5c6ccccc6c6ccc7ccccc7c65)cc5oc6ccccc6c5c4c3)n2)cc1.
What is the InChIKey of 11-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[a]carbazole?
The InChIKey is OWCQEDHHGZFNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4O/c1-2-14-33(15-3-1)49-52-50(35-23-22-31-12-4-5-16-34(31)28-35)54-51(53-49)36-25-26-39-42(29-36)47-41-19-9-11-21-45(41)56-46(47)30-44(39)55-43-20-10-8-18-38(43)40-27-24-32-13-6-7-17-37(32)48(40)55/h1-30H.
What are the key properties of 11-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[a]carbazole?
11-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[a]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 11-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[a]carbazole is sourced from PubChem (CID 163853213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).