4-naphtho[1,2-b][1]benzofuran-9-yl-2-phenyl-6-[4-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]naphthalen-1-yl]-1,6-dihydropyrimidine

C66H44N2O — CID 174304671

IUPAC4-naphtho[1,2-b][1]benzofuran-9-yl-2-phenyl-6-[4-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]naphthalen-1-yl]-1,6-dihydropyrimidine
SMILESC1=C(c2ccc3c(c2)oc2c4ccccc4ccc32)N=C(c2ccccc2)NC1c1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3cccc(-c4ccccc4)c3)c2)c2ccccc12
InChIInChI=1S/C66H44N2O/c1-4-15-43(16-5-1)45-27-29-46(30-28-45)52-38-53(50-23-14-22-49(37-50)44-17-6-2-7-18-44)40-54(39-52)55-35-36-59(58-26-13-12-25-57(55)58)63-42-62(67-66(68-63)48-20-8-3-9-21-48)51-32-33-60-61-34-31-47-19-10-11-24-56(47)65(61)69-64(60)41-51/h1-42,63H,(H,67,68)
InChIKeyYYWPBOCEVMEOIK-UHFFFAOYSA-N
MW881.09 g/mol
LogP17.36
Rot. Bonds8

About 4-naphtho[1,2-b][1]benzofuran-9-yl-2-phenyl-6-[4-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]naphthalen-1-yl]-1,6-dihydropyrimidine

4-naphtho[1,2-b][1]benzofuran-9-yl-2-phenyl-6-[4-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]naphthalen-1-yl]-1,6-dihydropyrimidine (PubChem CID 174304671) has the molecular formula C66H44N2O and a molecular weight of 881.09 g/mol. Its IUPAC name is 4-naphtho[1,2-b][1]benzofuran-9-yl-2-phenyl-6-[4-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]naphthalen-1-yl]-1,6-dihydropyrimidine.

Molecular Properties

Compound Name4-naphtho[1,2-b][1]benzofuran-9-yl-2-phenyl-6-[4-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]naphthalen-1-yl]-1,6-dihydropyrimidine
PubChem CID174304671
Molecular FormulaC66H44N2O
Molecular Weight881.09 g/mol
Exact Mass880.35
IUPAC Name4-naphtho[1,2-b][1]benzofuran-9-yl-2-phenyl-6-[4-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]naphthalen-1-yl]-1,6-dihydropyrimidine
SMILESC1=C(c2ccc3c(c2)oc2c4ccccc4ccc32)N=C(c2ccccc2)NC1c1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3cccc(-c4ccccc4)c3)c2)c2ccccc12
InChIInChI=1S/C66H44N2O/c1-4-15-43(16-5-1)45-27-29-46(30-28-45)52-38-53(50-23-14-22-49(37-50)44-17-6-2-7-18-44)40-54(39-52)55-35-36-59(58-26-13-12-25-57(55)58)63-42-62(67-66(68-63)48-20-8-3-9-21-48)51-32-33-60-61-34-31-47-19-10-11-24-56(47)65(61)69-64(60)41-51/h1-42,63H,(H,67,68)
InChIKeyYYWPBOCEVMEOIK-UHFFFAOYSA-N
XLogP17.36
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.09
LogP ≤ 517.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-naphtho[1,2-b][1]benzofuran-9-yl-2-phenyl-6-[4-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]naphthalen-1-yl]-1,6-dihydropyrimidine with MolForge

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Related Compounds

4-[3-[17-[3-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenyl]-2,6-diphenyl-1,6-dihydropyrimidine
CID 143904743
2-(3-naphtho[1,2-b][1]benzofuran-9-yl-5-phenylphenyl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168730388
2-(4-naphthalen-1-ylphenyl)-6-phenyl-4-(9-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,4-dihydro-1,3,5-triazine
CID 166975785
7-[3-[17-[3-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenyl]-3,4-dimethyl-2,5-diphenyl-3H-azepine
CID 143904808
2-[9-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine
CID 169048797
2,4-diphenyl-6-[9-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine
CID 167143892
2-(7-dibenzofuran-2-yldibenzofuran-3-yl)-4,6-diphenyl-1,6-dihydropyrimidine
CID 166961446
9-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 153436430
4-[3-(11,11-dimethyl-6-phenylbenzo[a]fluoren-9-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)-1,6-dihydropyrimidine
CID 170410128
2-phenyl-4-(4-phenylphenyl)-6-[3-[9-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-1,3,5-triazine
CID 176817791
2-(4-naphthalen-1-ylphenyl)-4-phenyl-6-[5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine
CID 176818283
9-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 90433768

Frequently Asked Questions

What is the IUPAC name of 4-naphtho[1,2-b][1]benzofuran-9-yl-2-phenyl-6-[4-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]naphthalen-1-yl]-1,6-dihydropyrimidine?
The IUPAC name of 4-naphtho[1,2-b][1]benzofuran-9-yl-2-phenyl-6-[4-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]naphthalen-1-yl]-1,6-dihydropyrimidine (CID 174304671) is 4-naphtho[1,2-b][1]benzofuran-9-yl-2-phenyl-6-[4-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]naphthalen-1-yl]-1,6-dihydropyrimidine.
What is the SMILES notation for 4-naphtho[1,2-b][1]benzofuran-9-yl-2-phenyl-6-[4-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]naphthalen-1-yl]-1,6-dihydropyrimidine?
The canonical SMILES for 4-naphtho[1,2-b][1]benzofuran-9-yl-2-phenyl-6-[4-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]naphthalen-1-yl]-1,6-dihydropyrimidine is C1=C(c2ccc3c(c2)oc2c4ccccc4ccc32)N=C(c2ccccc2)NC1c1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3cccc(-c4ccccc4)c3)c2)c2ccccc12.
What is the InChIKey of 4-naphtho[1,2-b][1]benzofuran-9-yl-2-phenyl-6-[4-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]naphthalen-1-yl]-1,6-dihydropyrimidine?
The InChIKey is YYWPBOCEVMEOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2O/c1-4-15-43(16-5-1)45-27-29-46(30-28-45)52-38-53(50-23-14-22-49(37-50)44-17-6-2-7-18-44)40-54(39-52)55-35-36-59(58-26-13-12-25-57(55)58)63-42-62(67-66(68-63)48-20-8-3-9-21-48)51-32-33-60-61-34-31-47-19-10-11-24-56(47)65(61)69-64(60)41-51/h1-42,63H,(H,67,68).
What are the key properties of 4-naphtho[1,2-b][1]benzofuran-9-yl-2-phenyl-6-[4-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]naphthalen-1-yl]-1,6-dihydropyrimidine?
4-naphtho[1,2-b][1]benzofuran-9-yl-2-phenyl-6-[4-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]naphthalen-1-yl]-1,6-dihydropyrimidine has a molecular weight of 881.09 g/mol, XLogP of 17.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphtho[1,2-b][1]benzofuran-9-yl-2-phenyl-6-[4-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]naphthalen-1-yl]-1,6-dihydropyrimidine is sourced from PubChem (CID 174304671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).