1-(1-benzofuran-2-yl)-N-dibenzofuran-1-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine

C48H29NO3 — CID 171754371

IUPAC1-(1-benzofuran-2-yl)-N-dibenzofuran-1-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine
SMILESc1ccc(-c2ccc(N(c3c4ccccc4cc4c3oc3cccc(-c5cc6ccccc6o5)c34)c3cccc4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C48H29NO3/c1-2-12-30(13-3-1)31-24-26-34(27-25-31)49(39-19-11-23-43-46(39)36-17-7-9-21-41(36)51-43)47-35-16-6-4-14-32(35)28-38-45-37(18-10-22-42(45)52-48(38)47)44-29-33-15-5-8-20-40(33)50-44/h1-29H
InChIKeyKIBYVHKAOPFYNO-UHFFFAOYSA-N
MW667.76 g/mol
LogP14.19
Rot. Bonds5

About 1-(1-benzofuran-2-yl)-N-dibenzofuran-1-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine

1-(1-benzofuran-2-yl)-N-dibenzofuran-1-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine (PubChem CID 171754371) has the molecular formula C48H29NO3 and a molecular weight of 667.76 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-dibenzofuran-1-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-dibenzofuran-1-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine
PubChem CID171754371
Molecular FormulaC48H29NO3
Molecular Weight667.76 g/mol
Exact Mass667.21
IUPAC Name1-(1-benzofuran-2-yl)-N-dibenzofuran-1-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine
SMILESc1ccc(-c2ccc(N(c3c4ccccc4cc4c3oc3cccc(-c5cc6ccccc6o5)c34)c3cccc4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C48H29NO3/c1-2-12-30(13-3-1)31-24-26-34(27-25-31)49(39-19-11-23-43-46(39)36-17-7-9-21-41(36)51-43)47-35-16-6-4-14-32(35)28-38-45-37(18-10-22-42(45)52-48(38)47)44-29-33-15-5-8-20-40(33)50-44/h1-29H
InChIKeyKIBYVHKAOPFYNO-UHFFFAOYSA-N
XLogP14.19
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.76
LogP ≤ 514.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 170399873
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186868
N-(2-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 155186765
2-(1-benzofuran-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398836
N-[2-(1-benzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 170526378
1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,3-b][1]benzofuran-6-amine
CID 170212928
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 163945137
N-(4-phenylphenyl)-N-tetraphenylen-2-yldibenzofuran-1-amine
CID 139297932
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186962
1-(2-phenyl-1,3-benzoxazol-7-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine
CID 171754408
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 170526096
2-(1-benzofuran-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 170398919

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-dibenzofuran-1-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-dibenzofuran-1-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine (CID 171754371) is 1-(1-benzofuran-2-yl)-N-dibenzofuran-1-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-dibenzofuran-1-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-dibenzofuran-1-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine is c1ccc(-c2ccc(N(c3c4ccccc4cc4c3oc3cccc(-c5cc6ccccc6o5)c34)c3cccc4oc5ccccc5c34)cc2)cc1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-dibenzofuran-1-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine?
The InChIKey is KIBYVHKAOPFYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NO3/c1-2-12-30(13-3-1)31-24-26-34(27-25-31)49(39-19-11-23-43-46(39)36-17-7-9-21-41(36)51-43)47-35-16-6-4-14-32(35)28-38-45-37(18-10-22-42(45)52-48(38)47)44-29-33-15-5-8-20-40(33)50-44/h1-29H.
What are the key properties of 1-(1-benzofuran-2-yl)-N-dibenzofuran-1-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine?
1-(1-benzofuran-2-yl)-N-dibenzofuran-1-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine has a molecular weight of 667.76 g/mol, XLogP of 14.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-dibenzofuran-1-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine is sourced from PubChem (CID 171754371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).