12-[3-[4-naphtho[1,2-b][1]benzofuran-6-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-h]isoquinoline

C54H32N4O — CID 174297066

IUPAC12-[3-[4-naphtho[1,2-b][1]benzofuran-6-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-h]isoquinoline
SMILESc1ccc(-c2ccccc2-c2nc(-c3cccc(-c4cccc5ccc6ccc7ccncc7c6c45)c3)nc(-c3cc4ccccc4c4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C54H32N4O/c1-2-12-33(13-3-1)40-18-6-7-20-43(40)53-56-52(57-54(58-53)45-31-38-14-4-5-19-42(38)51-50(45)44-21-8-9-23-47(44)59-51)39-17-10-16-37(30-39)41-22-11-15-35-26-27-36-25-24-34-28-29-55-32-46(34)49(36)48(35)41/h1-32H
InChIKeyLGODACLOXNAVSF-UHFFFAOYSA-N
MW752.88 g/mol
LogP14.11
Rot. Bonds5

About 12-[3-[4-naphtho[1,2-b][1]benzofuran-6-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-h]isoquinoline

12-[3-[4-naphtho[1,2-b][1]benzofuran-6-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-h]isoquinoline (PubChem CID 174297066) has the molecular formula C54H32N4O and a molecular weight of 752.88 g/mol. Its IUPAC name is 12-[3-[4-naphtho[1,2-b][1]benzofuran-6-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-h]isoquinoline.

Molecular Properties

Compound Name12-[3-[4-naphtho[1,2-b][1]benzofuran-6-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-h]isoquinoline
PubChem CID174297066
Molecular FormulaC54H32N4O
Molecular Weight752.88 g/mol
Exact Mass752.26
IUPAC Name12-[3-[4-naphtho[1,2-b][1]benzofuran-6-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-h]isoquinoline
SMILESc1ccc(-c2ccccc2-c2nc(-c3cccc(-c4cccc5ccc6ccc7ccncc7c6c45)c3)nc(-c3cc4ccccc4c4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C54H32N4O/c1-2-12-33(13-3-1)40-18-6-7-20-43(40)53-56-52(57-54(58-53)45-31-38-14-4-5-19-42(38)51-50(45)44-21-8-9-23-47(44)59-51)39-17-10-16-37(30-39)41-22-11-15-35-26-27-36-25-24-34-28-29-55-32-46(34)49(36)48(35)41/h1-32H
InChIKeyLGODACLOXNAVSF-UHFFFAOYSA-N
XLogP14.11
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.88
LogP ≤ 514.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 12-[3-[4-naphtho[1,2-b][1]benzofuran-6-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-h]isoquinoline with MolForge

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Related Compounds

7-[4-[4-dibenzofuran-1-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-h]isoquinoline
CID 174296972
2-(4-naphthalen-1-ylphenyl)-4,6-bis(naphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176775561
2,4-di(dibenzofuran-4-yl)-6-(3-phenanthren-4-ylphenyl)-1,3,5-triazine
CID 169278664
2-dibenzofuran-1-yl-4,6-bis(naphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176775447
2-(1-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176853775
2-[3-(6-dibenzofuran-1-ylnaphthalen-2-yl)phenyl]-4-(2-naphthalen-2-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 171731179
2-naphthalen-2-yl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176854017
2-[3-(3-naphtho[2,1-b][1]benzofuran-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 134430151
2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164942447
2,4-diphenyl-6-[3-(4-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 130289437
2-[3,5-di(dibenzofuran-1-yl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 164942695
6-[2-(4-naphtho[1,2-b][1]benzofuran-7-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphtho[1,2-h]isoquinoline
CID 174288331

Frequently Asked Questions

What is the IUPAC name of 12-[3-[4-naphtho[1,2-b][1]benzofuran-6-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-h]isoquinoline?
The IUPAC name of 12-[3-[4-naphtho[1,2-b][1]benzofuran-6-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-h]isoquinoline (CID 174297066) is 12-[3-[4-naphtho[1,2-b][1]benzofuran-6-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-h]isoquinoline.
What is the SMILES notation for 12-[3-[4-naphtho[1,2-b][1]benzofuran-6-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-h]isoquinoline?
The canonical SMILES for 12-[3-[4-naphtho[1,2-b][1]benzofuran-6-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-h]isoquinoline is c1ccc(-c2ccccc2-c2nc(-c3cccc(-c4cccc5ccc6ccc7ccncc7c6c45)c3)nc(-c3cc4ccccc4c4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 12-[3-[4-naphtho[1,2-b][1]benzofuran-6-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-h]isoquinoline?
The InChIKey is LGODACLOXNAVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N4O/c1-2-12-33(13-3-1)40-18-6-7-20-43(40)53-56-52(57-54(58-53)45-31-38-14-4-5-19-42(38)51-50(45)44-21-8-9-23-47(44)59-51)39-17-10-16-37(30-39)41-22-11-15-35-26-27-36-25-24-34-28-29-55-32-46(34)49(36)48(35)41/h1-32H.
What are the key properties of 12-[3-[4-naphtho[1,2-b][1]benzofuran-6-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-h]isoquinoline?
12-[3-[4-naphtho[1,2-b][1]benzofuran-6-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-h]isoquinoline has a molecular weight of 752.88 g/mol, XLogP of 14.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[3-[4-naphtho[1,2-b][1]benzofuran-6-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-h]isoquinoline is sourced from PubChem (CID 174297066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).