N-naphthalen-2-yl-N-phenyl-1-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]dibenzofuran-4-amine

C50H31N3O2 — CID 166974704

IUPACN-naphthalen-2-yl-N-phenyl-1-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]dibenzofuran-4-amine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccc6ccccc6c5)c5oc6ccccc6c45)cc3)c3oc4ccccc4c3n2)cc1
InChIInChI=1S/C50H31N3O2/c1-3-14-35(15-4-1)50-51-46(49-47(52-50)41-20-10-12-22-44(41)55-49)34-25-23-33(24-26-34)39-29-30-42(48-45(39)40-19-9-11-21-43(40)54-48)53(37-17-5-2-6-18-37)38-28-27-32-13-7-8-16-36(32)31-38/h1-31H
InChIKeyCCWPAXMTQANNGD-UHFFFAOYSA-N
MW705.82 g/mol
LogP13.90
Rot. Bonds6

About N-naphthalen-2-yl-N-phenyl-1-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]dibenzofuran-4-amine

N-naphthalen-2-yl-N-phenyl-1-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]dibenzofuran-4-amine (PubChem CID 166974704) has the molecular formula C50H31N3O2 and a molecular weight of 705.82 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-phenyl-1-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-phenyl-1-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]dibenzofuran-4-amine
PubChem CID166974704
Molecular FormulaC50H31N3O2
Molecular Weight705.82 g/mol
Exact Mass705.24
IUPAC NameN-naphthalen-2-yl-N-phenyl-1-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]dibenzofuran-4-amine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccc6ccccc6c5)c5oc6ccccc6c45)cc3)c3oc4ccccc4c3n2)cc1
InChIInChI=1S/C50H31N3O2/c1-3-14-35(15-4-1)50-51-46(49-47(52-50)41-20-10-12-22-44(41)55-49)34-25-23-33(24-26-34)39-29-30-42(48-45(39)40-19-9-11-21-43(40)54-48)53(37-17-5-2-6-18-37)38-28-27-32-13-7-8-16-36(32)31-38/h1-31H
InChIKeyCCWPAXMTQANNGD-UHFFFAOYSA-N
XLogP13.90
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.82
LogP ≤ 513.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-naphthalen-2-yl-N-phenyl-1-[4-(3-phenylquinoxalin-2-yl)phenyl]dibenzofuran-4-amine
CID 169048415
N-naphthalen-2-yl-N-(4-phenylphenyl)-1-(4-phenylquinazolin-2-yl)dibenzofuran-4-amine
CID 169048382
N-naphthalen-2-yl-N-(4-phenylphenyl)-1-(3-phenylquinoxalin-2-yl)dibenzofuran-4-amine
CID 169048372
N-dibenzothiophen-2-yl-N-phenyl-1-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzofuran-4-amine
CID 169048376
N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-yl-1-phenyldibenzofuran-4-amine
CID 171434822
N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 166974983
4-naphthalen-2-yl-2-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 170092498
N-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzofuran-4-amine
CID 171434660
N-(4-phenylphenyl)-N-[4-[4-(3-phenylquinoxalin-2-yl)dibenzofuran-1-yl]phenyl]naphthalen-2-amine
CID 169048396
4-naphthalen-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069342
N-phenanthren-3-yl-1-(4-phenyldibenzofuran-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 176820600
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

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-phenyl-1-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]dibenzofuran-4-amine?
The IUPAC name of N-naphthalen-2-yl-N-phenyl-1-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]dibenzofuran-4-amine (CID 166974704) is N-naphthalen-2-yl-N-phenyl-1-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-phenyl-1-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-naphthalen-2-yl-N-phenyl-1-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]dibenzofuran-4-amine is c1ccc(-c2nc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccc6ccccc6c5)c5oc6ccccc6c45)cc3)c3oc4ccccc4c3n2)cc1.
What is the InChIKey of N-naphthalen-2-yl-N-phenyl-1-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]dibenzofuran-4-amine?
The InChIKey is CCWPAXMTQANNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N3O2/c1-3-14-35(15-4-1)50-51-46(49-47(52-50)41-20-10-12-22-44(41)55-49)34-25-23-33(24-26-34)39-29-30-42(48-45(39)40-19-9-11-21-43(40)54-48)53(37-17-5-2-6-18-37)38-28-27-32-13-7-8-16-36(32)31-38/h1-31H.
What are the key properties of N-naphthalen-2-yl-N-phenyl-1-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]dibenzofuran-4-amine?
N-naphthalen-2-yl-N-phenyl-1-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]dibenzofuran-4-amine has a molecular weight of 705.82 g/mol, XLogP of 13.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N-phenyl-1-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 166974704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).