4,9-bis(4-naphthalen-1-ylphenyl)-1,2,6,7-tetraphenyl-[1]benzofuro[7,6-g][1]benzofuran;4-N,4-N,9-N,9-N,1,6-hexakis-phenyl-[1]benzofuro[7,6-g][1]benzofuran-4,9-diamine

C120H78N2O4 — CID 158363165

IUPAC4,9-bis(4-naphthalen-1-ylphenyl)-1,2,6,7-tetraphenyl-[1]benzofuro[7,6-g][1]benzofuran;4-N,4-N,9-N,9-N,1,6-hexakis-phenyl-[1]benzofuro[7,6-g][1]benzofuran-4,9-diamine
SMILESc1ccc(-c2coc3c2cc(N(c2ccccc2)c2ccccc2)c2c4occ(-c5ccccc5)c4cc(N(c4ccccc4)c4ccccc4)c32)cc1.c1ccc(-c2oc3c(cc(-c4ccc(-c5cccc6ccccc56)cc4)c4c5oc(-c6ccccc6)c(-c6ccccc6)c5cc(-c5ccc(-c6cccc7ccccc67)cc5)c34)c2-c2ccccc2)cc1
InChIInChI=1S/C70H44O2.C50H34N2O2/c1-5-21-51(22-6-1)63-61-43-59(49-39-35-47(36-40-49)57-33-17-29-45-19-13-15-31-55(45)57)66-65(69(61)71-67(63)53-25-9-3-10-26-53)60(50-41-37-48(38-42-50)58-34-18-30-46-20-14-16-32-56(46)58)44-62-64(52-23-7-2-8-24-52)68(72-70(62)66)54-27-11-4-12-28-54;1-7-19-35(20-8-1)43-33-53-49-41(43)31-45(51(37-23-11-3-12-24-37)38-25-13-4-14-26-38)48-47(49)46(32-42-44(34-54-50(42)48)36-21-9-2-10-22-36)52(39-27-15-5-16-28-39)40-29-17-6-18-30-40/h1-44H;1-34H
InChIKeyGTSFDCJLCDJQLA-UHFFFAOYSA-N
MW1611.95 g/mol
LogP34.58
Rot. Bonds16

About 4,9-bis(4-naphthalen-1-ylphenyl)-1,2,6,7-tetraphenyl-[1]benzofuro[7,6-g][1]benzofuran;4-N,4-N,9-N,9-N,1,6-hexakis-phenyl-[1]benzofuro[7,6-g][1]benzofuran-4,9-diamine

4,9-bis(4-naphthalen-1-ylphenyl)-1,2,6,7-tetraphenyl-[1]benzofuro[7,6-g][1]benzofuran;4-N,4-N,9-N,9-N,1,6-hexakis-phenyl-[1]benzofuro[7,6-g][1]benzofuran-4,9-diamine (PubChem CID 158363165) has the molecular formula C120H78N2O4 and a molecular weight of 1611.95 g/mol. Its IUPAC name is 4,9-bis(4-naphthalen-1-ylphenyl)-1,2,6,7-tetraphenyl-[1]benzofuro[7,6-g][1]benzofuran;4-N,4-N,9-N,9-N,1,6-hexakis-phenyl-[1]benzofuro[7,6-g][1]benzofuran-4,9-diamine.

Molecular Properties

Compound Name4,9-bis(4-naphthalen-1-ylphenyl)-1,2,6,7-tetraphenyl-[1]benzofuro[7,6-g][1]benzofuran;4-N,4-N,9-N,9-N,1,6-hexakis-phenyl-[1]benzofuro[7,6-g][1]benzofuran-4,9-diamine
PubChem CID158363165
Molecular FormulaC120H78N2O4
Molecular Weight1611.95 g/mol
Exact Mass1610.60
IUPAC Name4,9-bis(4-naphthalen-1-ylphenyl)-1,2,6,7-tetraphenyl-[1]benzofuro[7,6-g][1]benzofuran;4-N,4-N,9-N,9-N,1,6-hexakis-phenyl-[1]benzofuro[7,6-g][1]benzofuran-4,9-diamine
SMILESc1ccc(-c2coc3c2cc(N(c2ccccc2)c2ccccc2)c2c4occ(-c5ccccc5)c4cc(N(c4ccccc4)c4ccccc4)c32)cc1.c1ccc(-c2oc3c(cc(-c4ccc(-c5cccc6ccccc56)cc4)c4c5oc(-c6ccccc6)c(-c6ccccc6)c5cc(-c5ccc(-c6cccc7ccccc67)cc5)c34)c2-c2ccccc2)cc1
InChIInChI=1S/C70H44O2.C50H34N2O2/c1-5-21-51(22-6-1)63-61-43-59(49-39-35-47(36-40-49)57-33-17-29-45-19-13-15-31-55(45)57)66-65(69(61)71-67(63)53-25-9-3-10-26-53)60(50-41-37-48(38-42-50)58-34-18-30-46-20-14-16-32-56(46)58)44-62-64(52-23-7-2-8-24-52)68(72-70(62)66)54-27-11-4-12-28-54;1-7-19-35(20-8-1)43-33-53-49-41(43)31-45(51(37-23-11-3-12-24-37)38-25-13-4-14-26-38)48-47(49)46(32-42-44(34-54-50(42)48)36-21-9-2-10-22-36)52(39-27-15-5-16-28-39)40-29-17-6-18-30-40/h1-44H;1-34H
InChIKeyGTSFDCJLCDJQLA-UHFFFAOYSA-N
XLogP34.58
TPSA59.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms126
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001611.95
LogP ≤ 534.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4,9-bis(4-naphthalen-1-ylphenyl)-1,2,6,7-tetraphenyl-[1]benzofuro[7,6-g][1]benzofuran;4-N,4-N,9-N,9-N,1,6-hexakis-phenyl-[1]benzofuro[7,6-g][1]benzofuran-4,9-diamine with MolForge

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Related Compounds

9-(4-naphthalen-1-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-1,2,6,7-tetraphenyl-[1]benzofuro[7,6-g][1]benzofuran
CID 58151120
N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine
CID 155105614
4,8-bis(4-naphthalen-1-ylphenyl)-2,3,6,7-tetraphenylfuro[2,3-f][1]benzofuran
CID 58160893
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]naphthalen-1-amine
CID 170402291
N-[4-(2,3-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
CID 164831677
5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,2-diphenylaniline
CID 167236233
N-(4-naphthalen-1-ylphenyl)-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]naphthalen-2-amine
CID 170400161
N,N-bis(4-naphthalen-1-ylphenyl)-2,6-diphenyldibenzofuran-4-amine
CID 168771985
N-[4-(3,5-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 130353837
N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 170399193
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-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-2-(3-phenyl-1-benzofuran-2-yl)aniline
CID 170401905

Frequently Asked Questions

What is the IUPAC name of 4,9-bis(4-naphthalen-1-ylphenyl)-1,2,6,7-tetraphenyl-[1]benzofuro[7,6-g][1]benzofuran;4-N,4-N,9-N,9-N,1,6-hexakis-phenyl-[1]benzofuro[7,6-g][1]benzofuran-4,9-diamine?
The IUPAC name of 4,9-bis(4-naphthalen-1-ylphenyl)-1,2,6,7-tetraphenyl-[1]benzofuro[7,6-g][1]benzofuran;4-N,4-N,9-N,9-N,1,6-hexakis-phenyl-[1]benzofuro[7,6-g][1]benzofuran-4,9-diamine (CID 158363165) is 4,9-bis(4-naphthalen-1-ylphenyl)-1,2,6,7-tetraphenyl-[1]benzofuro[7,6-g][1]benzofuran;4-N,4-N,9-N,9-N,1,6-hexakis-phenyl-[1]benzofuro[7,6-g][1]benzofuran-4,9-diamine.
What is the SMILES notation for 4,9-bis(4-naphthalen-1-ylphenyl)-1,2,6,7-tetraphenyl-[1]benzofuro[7,6-g][1]benzofuran;4-N,4-N,9-N,9-N,1,6-hexakis-phenyl-[1]benzofuro[7,6-g][1]benzofuran-4,9-diamine?
The canonical SMILES for 4,9-bis(4-naphthalen-1-ylphenyl)-1,2,6,7-tetraphenyl-[1]benzofuro[7,6-g][1]benzofuran;4-N,4-N,9-N,9-N,1,6-hexakis-phenyl-[1]benzofuro[7,6-g][1]benzofuran-4,9-diamine is c1ccc(-c2coc3c2cc(N(c2ccccc2)c2ccccc2)c2c4occ(-c5ccccc5)c4cc(N(c4ccccc4)c4ccccc4)c32)cc1.c1ccc(-c2oc3c(cc(-c4ccc(-c5cccc6ccccc56)cc4)c4c5oc(-c6ccccc6)c(-c6ccccc6)c5cc(-c5ccc(-c6cccc7ccccc67)cc5)c34)c2-c2ccccc2)cc1.
What is the InChIKey of 4,9-bis(4-naphthalen-1-ylphenyl)-1,2,6,7-tetraphenyl-[1]benzofuro[7,6-g][1]benzofuran;4-N,4-N,9-N,9-N,1,6-hexakis-phenyl-[1]benzofuro[7,6-g][1]benzofuran-4,9-diamine?
The InChIKey is GTSFDCJLCDJQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H44O2.C50H34N2O2/c1-5-21-51(22-6-1)63-61-43-59(49-39-35-47(36-40-49)57-33-17-29-45-19-13-15-31-55(45)57)66-65(69(61)71-67(63)53-25-9-3-10-26-53)60(50-41-37-48(38-42-50)58-34-18-30-46-20-14-16-32-56(46)58)44-62-64(52-23-7-2-8-24-52)68(72-70(62)66)54-27-11-4-12-28-54;1-7-19-35(20-8-1)43-33-53-49-41(43)31-45(51(37-23-11-3-12-24-37)38-25-13-4-14-26-38)48-47(49)46(32-42-44(34-54-50(42)48)36-21-9-2-10-22-36)52(39-27-15-5-16-28-39)40-29-17-6-18-30-40/h1-44H;1-34H.
What are the key properties of 4,9-bis(4-naphthalen-1-ylphenyl)-1,2,6,7-tetraphenyl-[1]benzofuro[7,6-g][1]benzofuran;4-N,4-N,9-N,9-N,1,6-hexakis-phenyl-[1]benzofuro[7,6-g][1]benzofuran-4,9-diamine?
4,9-bis(4-naphthalen-1-ylphenyl)-1,2,6,7-tetraphenyl-[1]benzofuro[7,6-g][1]benzofuran;4-N,4-N,9-N,9-N,1,6-hexakis-phenyl-[1]benzofuro[7,6-g][1]benzofuran-4,9-diamine has a molecular weight of 1611.95 g/mol, XLogP of 34.58, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-bis(4-naphthalen-1-ylphenyl)-1,2,6,7-tetraphenyl-[1]benzofuro[7,6-g][1]benzofuran;4-N,4-N,9-N,9-N,1,6-hexakis-phenyl-[1]benzofuro[7,6-g][1]benzofuran-4,9-diamine is sourced from PubChem (CID 158363165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).