4-naphthalen-1-yl-N-phenyl-N-[4-(10-phenyl-9,10-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline

C50H35NO — CID 167144605

IUPAC4-naphthalen-1-yl-N-phenyl-N-[4-(10-phenyl-9,10-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline
SMILESC1=Cc2c(oc3c2cc(-c2ccc(N(c4ccccc4)c4ccc(-c5cccc6ccccc56)cc4)cc2)c2ccccc23)C(c2ccccc2)C1
InChIInChI=1S/C50H35NO/c1-3-13-35(14-4-1)43-23-12-24-46-48-33-47(44-20-9-10-21-45(44)50(48)52-49(43)46)37-27-31-40(32-28-37)51(38-17-5-2-6-18-38)39-29-25-36(26-30-39)42-22-11-16-34-15-7-8-19-41(34)42/h1-22,24-33,43H,23H2
InChIKeyOHNPECHAEHLTKD-UHFFFAOYSA-N
MW665.84 g/mol
LogP14.09
Rot. Bonds6

About 4-naphthalen-1-yl-N-phenyl-N-[4-(10-phenyl-9,10-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline

4-naphthalen-1-yl-N-phenyl-N-[4-(10-phenyl-9,10-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline (PubChem CID 167144605) has the molecular formula C50H35NO and a molecular weight of 665.84 g/mol. Its IUPAC name is 4-naphthalen-1-yl-N-phenyl-N-[4-(10-phenyl-9,10-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline.

Molecular Properties

Compound Name4-naphthalen-1-yl-N-phenyl-N-[4-(10-phenyl-9,10-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline
PubChem CID167144605
Molecular FormulaC50H35NO
Molecular Weight665.84 g/mol
Exact Mass665.27
IUPAC Name4-naphthalen-1-yl-N-phenyl-N-[4-(10-phenyl-9,10-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline
SMILESC1=Cc2c(oc3c2cc(-c2ccc(N(c4ccccc4)c4ccc(-c5cccc6ccccc56)cc4)cc2)c2ccccc23)C(c2ccccc2)C1
InChIInChI=1S/C50H35NO/c1-3-13-35(14-4-1)43-23-12-24-46-48-33-47(44-20-9-10-21-45(44)50(48)52-49(43)46)37-27-31-40(32-28-37)51(38-17-5-2-6-18-38)39-29-25-36(26-30-39)42-22-11-16-34-15-7-8-19-41(34)42/h1-22,24-33,43H,23H2
InChIKeyOHNPECHAEHLTKD-UHFFFAOYSA-N
XLogP14.09
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.84
LogP ≤ 514.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)-N-(4-phenylphenyl)aniline
CID 154961760
13-N-naphthalen-2-yl-13-N,16-N,8-triphenyl-16-N,25-bis(4-phenylphenyl)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1,3(11),4(9),5,7,12,14,16,18,20(28),21(26),22-dodecaene-13,16-diamine
CID 163884600
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-phenylaniline
CID 162494606
N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-yl]aniline
CID 167143212
N-(4-naphthalen-1-ylphenyl)-3-(6-phenyldibenzofuran-4-yl)-N-(4-phenylphenyl)aniline
CID 121296696
3-N-(4-dibenzofuran-4-ylphenyl)-1-N,5-N-bis(4-naphthalen-1-ylphenyl)-1-N,5-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3,5-triamine
CID 139393698
4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159367730
N,4-diphenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline
CID 167402762
N-(4-phenanthren-9-ylphenyl)-N-phenyl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)aniline
CID 167402206
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 157200619
N-[4-(3,4-dihydrodibenzofuran-4-yl)phenyl]-2-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
CID 155374491
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159404463

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-N-phenyl-N-[4-(10-phenyl-9,10-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline?
The IUPAC name of 4-naphthalen-1-yl-N-phenyl-N-[4-(10-phenyl-9,10-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline (CID 167144605) is 4-naphthalen-1-yl-N-phenyl-N-[4-(10-phenyl-9,10-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline.
What is the SMILES notation for 4-naphthalen-1-yl-N-phenyl-N-[4-(10-phenyl-9,10-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline?
The canonical SMILES for 4-naphthalen-1-yl-N-phenyl-N-[4-(10-phenyl-9,10-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline is C1=Cc2c(oc3c2cc(-c2ccc(N(c4ccccc4)c4ccc(-c5cccc6ccccc56)cc4)cc2)c2ccccc23)C(c2ccccc2)C1.
What is the InChIKey of 4-naphthalen-1-yl-N-phenyl-N-[4-(10-phenyl-9,10-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline?
The InChIKey is OHNPECHAEHLTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35NO/c1-3-13-35(14-4-1)43-23-12-24-46-48-33-47(44-20-9-10-21-45(44)50(48)52-49(43)46)37-27-31-40(32-28-37)51(38-17-5-2-6-18-38)39-29-25-36(26-30-39)42-22-11-16-34-15-7-8-19-41(34)42/h1-22,24-33,43H,23H2.
What are the key properties of 4-naphthalen-1-yl-N-phenyl-N-[4-(10-phenyl-9,10-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline?
4-naphthalen-1-yl-N-phenyl-N-[4-(10-phenyl-9,10-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline has a molecular weight of 665.84 g/mol, XLogP of 14.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-N-phenyl-N-[4-(10-phenyl-9,10-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline is sourced from PubChem (CID 167144605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).