N,N-diphenyl-5-(4-phenylquinazolin-2-yl)naphtho[1,2-b][1]benzofuran-10-amine

C42H27N3O — CID 167626223

IUPACN,N-diphenyl-5-(4-phenylquinazolin-2-yl)naphtho[1,2-b][1]benzofuran-10-amine
SMILESc1ccc(-c2nc(-c3cc4c5cccc(N(c6ccccc6)c6ccccc6)c5oc4c4ccccc34)nc3ccccc23)cc1
InChIInChI=1S/C42H27N3O/c1-4-15-28(16-5-1)39-34-23-12-13-25-37(34)43-42(44-39)36-27-35-33-24-14-26-38(41(33)46-40(35)32-22-11-10-21-31(32)36)45(29-17-6-2-7-18-29)30-19-8-3-9-20-30/h1-27H
InChIKeyCLRVPTYWFVWFNE-UHFFFAOYSA-N
MW589.70 g/mol
LogP11.49
Rot. Bonds5

About N,N-diphenyl-5-(4-phenylquinazolin-2-yl)naphtho[1,2-b][1]benzofuran-10-amine

N,N-diphenyl-5-(4-phenylquinazolin-2-yl)naphtho[1,2-b][1]benzofuran-10-amine (PubChem CID 167626223) has the molecular formula C42H27N3O and a molecular weight of 589.70 g/mol. Its IUPAC name is N,N-diphenyl-5-(4-phenylquinazolin-2-yl)naphtho[1,2-b][1]benzofuran-10-amine.

Molecular Properties

Compound NameN,N-diphenyl-5-(4-phenylquinazolin-2-yl)naphtho[1,2-b][1]benzofuran-10-amine
PubChem CID167626223
Molecular FormulaC42H27N3O
Molecular Weight589.70 g/mol
Exact Mass589.22
IUPAC NameN,N-diphenyl-5-(4-phenylquinazolin-2-yl)naphtho[1,2-b][1]benzofuran-10-amine
SMILESc1ccc(-c2nc(-c3cc4c5cccc(N(c6ccccc6)c6ccccc6)c5oc4c4ccccc34)nc3ccccc23)cc1
InChIInChI=1S/C42H27N3O/c1-4-15-28(16-5-1)39-34-23-12-13-25-37(34)43-42(44-39)36-27-35-33-24-14-26-38(41(33)46-40(35)32-22-11-10-21-31(32)36)45(29-17-6-2-7-18-29)30-19-8-3-9-20-30/h1-27H
InChIKeyCLRVPTYWFVWFNE-UHFFFAOYSA-N
XLogP11.49
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.70
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167144324
5-(4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-10-amine
CID 167599561
N-naphthalen-1-yl-N-phenyl-9-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine
CID 163993269
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 154968615
N-phenyl-N-(4-phenylphenyl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-3-amine
CID 171597107
N-dibenzofuran-3-yl-N,5-diphenylnaphtho[1,2-b][1]benzofuran-10-amine
CID 167144409
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-naphthalen-2-yl-N-(4-phenylphenyl)-1-(4-phenylquinazolin-2-yl)dibenzofuran-4-amine
CID 169048382
N-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 169048881
2-(7-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(4-phenylphenyl)quinazoline
CID 169049009
6-naphthalen-1-yl-N,N-diphenylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169296361
N-dibenzofuran-4-yl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167403132

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-5-(4-phenylquinazolin-2-yl)naphtho[1,2-b][1]benzofuran-10-amine?
The IUPAC name of N,N-diphenyl-5-(4-phenylquinazolin-2-yl)naphtho[1,2-b][1]benzofuran-10-amine (CID 167626223) is N,N-diphenyl-5-(4-phenylquinazolin-2-yl)naphtho[1,2-b][1]benzofuran-10-amine.
What is the SMILES notation for N,N-diphenyl-5-(4-phenylquinazolin-2-yl)naphtho[1,2-b][1]benzofuran-10-amine?
The canonical SMILES for N,N-diphenyl-5-(4-phenylquinazolin-2-yl)naphtho[1,2-b][1]benzofuran-10-amine is c1ccc(-c2nc(-c3cc4c5cccc(N(c6ccccc6)c6ccccc6)c5oc4c4ccccc34)nc3ccccc23)cc1.
What is the InChIKey of N,N-diphenyl-5-(4-phenylquinazolin-2-yl)naphtho[1,2-b][1]benzofuran-10-amine?
The InChIKey is CLRVPTYWFVWFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N3O/c1-4-15-28(16-5-1)39-34-23-12-13-25-37(34)43-42(44-39)36-27-35-33-24-14-26-38(41(33)46-40(35)32-22-11-10-21-31(32)36)45(29-17-6-2-7-18-29)30-19-8-3-9-20-30/h1-27H.
What are the key properties of N,N-diphenyl-5-(4-phenylquinazolin-2-yl)naphtho[1,2-b][1]benzofuran-10-amine?
N,N-diphenyl-5-(4-phenylquinazolin-2-yl)naphtho[1,2-b][1]benzofuran-10-amine has a molecular weight of 589.70 g/mol, XLogP of 11.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-5-(4-phenylquinazolin-2-yl)naphtho[1,2-b][1]benzofuran-10-amine is sourced from PubChem (CID 167626223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).