N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine

C46H29NO2 — CID 168804045

IUPACN-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5c4oc4c6ccccc6ccc54)cc3)cc2)cc1
InChIInChI=1S/C46H29NO2/c1-2-9-30(10-3-1)31-17-19-32(20-18-31)33-21-24-35(25-22-33)47(36-26-28-39-38-13-6-7-16-43(38)48-44(39)29-36)42-15-8-14-40-41-27-23-34-11-4-5-12-37(34)45(41)49-46(40)42/h1-29H
InChIKeyHDIFGBCNUDRCSW-UHFFFAOYSA-N
MW627.74 g/mol
LogP13.44
Rot. Bonds5

About N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine

N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine (PubChem CID 168804045) has the molecular formula C46H29NO2 and a molecular weight of 627.74 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
PubChem CID168804045
Molecular FormulaC46H29NO2
Molecular Weight627.74 g/mol
Exact Mass627.22
IUPAC NameN-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5c4oc4c6ccccc6ccc54)cc3)cc2)cc1
InChIInChI=1S/C46H29NO2/c1-2-9-30(10-3-1)31-17-19-32(20-18-31)33-21-24-35(25-22-33)47(36-26-28-39-38-13-6-7-16-43(38)48-44(39)29-36)42-15-8-14-40-41-27-23-34-11-4-5-12-37(34)45(41)49-46(40)42/h1-29H
InChIKeyHDIFGBCNUDRCSW-UHFFFAOYSA-N
XLogP13.44
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.74
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-3-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-10-amine
CID 168804046
N-dibenzofuran-3-yl-N,8-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 170675155
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 121241788
N-dibenzofuran-3-yl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167402059
N-dibenzofuran-3-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167144400
N-dibenzofuran-3-yl-6-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 167396499
N-dibenzofuran-3-yl-N-(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804139
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 168804081
N-(4-dibenzofuran-4-ylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168803987
N-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396874
N,N-di(dibenzofuran-2-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804115
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 168804037

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine (CID 168804045) is N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5c4oc4c6ccccc6ccc54)cc3)cc2)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine?
The InChIKey is HDIFGBCNUDRCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO2/c1-2-9-30(10-3-1)31-17-19-32(20-18-31)33-21-24-35(25-22-33)47(36-26-28-39-38-13-6-7-16-43(38)48-44(39)29-36)42-15-8-14-40-41-27-23-34-11-4-5-12-37(34)45(41)49-46(40)42/h1-29H.
What are the key properties of N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine?
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine has a molecular weight of 627.74 g/mol, XLogP of 13.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine is sourced from PubChem (CID 168804045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).