N,5-diphenyl-N-triphenylen-2-ylnaphtho[2,1-b][1]benzofuran-8-amine

C46H29NO — CID 176808221

IUPACN,5-diphenyl-N-triphenylen-2-ylnaphtho[2,1-b][1]benzofuran-8-amine
SMILESc1ccc(-c2cc3oc4c(N(c5ccccc5)c5ccc6c7ccccc7c7ccccc7c6c5)cccc4c3c3ccccc23)cc1
InChIInChI=1S/C46H29NO/c1-3-14-30(15-4-1)41-29-44-45(39-23-12-11-22-37(39)41)40-24-13-25-43(46(40)48-44)47(31-16-5-2-6-17-31)32-26-27-38-35-20-8-7-18-33(35)34-19-9-10-21-36(34)42(38)28-32/h1-29H
InChIKeyBFVRZOVGKSERBV-UHFFFAOYSA-N
MW611.74 g/mol
LogP13.34
Rot. Bonds4

About N,5-diphenyl-N-triphenylen-2-ylnaphtho[2,1-b][1]benzofuran-8-amine

N,5-diphenyl-N-triphenylen-2-ylnaphtho[2,1-b][1]benzofuran-8-amine (PubChem CID 176808221) has the molecular formula C46H29NO and a molecular weight of 611.74 g/mol. Its IUPAC name is N,5-diphenyl-N-triphenylen-2-ylnaphtho[2,1-b][1]benzofuran-8-amine.

Molecular Properties

Compound NameN,5-diphenyl-N-triphenylen-2-ylnaphtho[2,1-b][1]benzofuran-8-amine
PubChem CID176808221
Molecular FormulaC46H29NO
Molecular Weight611.74 g/mol
Exact Mass611.22
IUPAC NameN,5-diphenyl-N-triphenylen-2-ylnaphtho[2,1-b][1]benzofuran-8-amine
SMILESc1ccc(-c2cc3oc4c(N(c5ccccc5)c5ccc6c7ccccc7c7ccccc7c6c5)cccc4c3c3ccccc23)cc1
InChIInChI=1S/C46H29NO/c1-3-14-30(15-4-1)41-29-44-45(39-23-12-11-22-37(39)41)40-24-13-25-43(46(40)48-44)47(31-16-5-2-6-17-31)32-26-27-38-35-20-8-7-18-33(35)34-19-9-10-21-36(34)42(38)28-32/h1-29H
InChIKeyBFVRZOVGKSERBV-UHFFFAOYSA-N
XLogP13.34
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.74
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)-5-phenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 176808344
N-phenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)phenyl]dibenzofuran-4-amine
CID 176808337
N,4-diphenyl-N-(6-phenylnaphthalen-2-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 177130990
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 154968615
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 171757084
N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 170301157
N-dibenzofuran-1-yl-5-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-3-amine
CID 176765019
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)-5-phenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 176808372
N,8-diphenyl-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 177130769
N-dibenzofuran-3-yl-N,5-diphenylnaphtho[1,2-b][1]benzofuran-10-amine
CID 167144409
N-dibenzofuran-1-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 170301401
1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine
CID 162003891

Frequently Asked Questions

What is the IUPAC name of N,5-diphenyl-N-triphenylen-2-ylnaphtho[2,1-b][1]benzofuran-8-amine?
The IUPAC name of N,5-diphenyl-N-triphenylen-2-ylnaphtho[2,1-b][1]benzofuran-8-amine (CID 176808221) is N,5-diphenyl-N-triphenylen-2-ylnaphtho[2,1-b][1]benzofuran-8-amine.
What is the SMILES notation for N,5-diphenyl-N-triphenylen-2-ylnaphtho[2,1-b][1]benzofuran-8-amine?
The canonical SMILES for N,5-diphenyl-N-triphenylen-2-ylnaphtho[2,1-b][1]benzofuran-8-amine is c1ccc(-c2cc3oc4c(N(c5ccccc5)c5ccc6c7ccccc7c7ccccc7c6c5)cccc4c3c3ccccc23)cc1.
What is the InChIKey of N,5-diphenyl-N-triphenylen-2-ylnaphtho[2,1-b][1]benzofuran-8-amine?
The InChIKey is BFVRZOVGKSERBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO/c1-3-14-30(15-4-1)41-29-44-45(39-23-12-11-22-37(39)41)40-24-13-25-43(46(40)48-44)47(31-16-5-2-6-17-31)32-26-27-38-35-20-8-7-18-33(35)34-19-9-10-21-36(34)42(38)28-32/h1-29H.
What are the key properties of N,5-diphenyl-N-triphenylen-2-ylnaphtho[2,1-b][1]benzofuran-8-amine?
N,5-diphenyl-N-triphenylen-2-ylnaphtho[2,1-b][1]benzofuran-8-amine has a molecular weight of 611.74 g/mol, XLogP of 13.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-diphenyl-N-triphenylen-2-ylnaphtho[2,1-b][1]benzofuran-8-amine is sourced from PubChem (CID 176808221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).