2,7-bis(4-chlorophenyl)-[1]benzofuro[5,6-f][1]benzofuran;N-(3-tert-butylphenyl)-N-[4-[7-[4-(N-(3-tert-butylphenyl)-3-phenylanilino)phenyl]-[1]benzofuro[5,6-f][1]benzofuran-2-yl]phenyl]-3-phenylaniline;1-tert-butyl-3-[(3-phenylphenyl)methyl]benzene

C119H96Cl2N2O4 — CID 159549199

IUPAC2,7-bis(4-chlorophenyl)-[1]benzofuro[5,6-f][1]benzofuran;N-(3-tert-butylphenyl)-N-[4-[7-[4-(N-(3-tert-butylphenyl)-3-phenylanilino)phenyl]-[1]benzofuro[5,6-f][1]benzofuran-2-yl]phenyl]-3-phenylaniline;1-tert-butyl-3-[(3-phenylphenyl)methyl]benzene
SMILESCC(C)(C)c1cccc(Cc2cccc(-c3ccccc3)c2)c1.CC(C)(C)c1cccc(N(c2ccc(-c3cc4cc5cc6cc(-c7ccc(N(c8cccc(-c9ccccc9)c8)c8cccc(C(C)(C)C)c8)cc7)oc6cc5cc4o3)cc2)c2cccc(-c3ccccc3)c2)c1.Clc1ccc(-c2cc3cc4cc5cc(-c6ccc(Cl)cc6)oc5cc4cc3o2)cc1
InChIInChI=1S/C70H58N2O2.C26H14Cl2O2.C23H24/c1-69(2,3)57-23-15-27-63(45-57)71(61-25-13-21-51(39-61)47-17-9-7-10-18-47)59-33-29-49(30-34-59)65-43-55-37-53-38-56-44-66(74-68(56)42-54(53)41-67(55)73-65)50-31-35-60(36-32-50)72(64-28-16-24-58(46-64)70(4,5)6)62-26-14-22-52(40-62)48-19-11-8-12-20-48;27-21-5-1-15(2-6-21)23-13-19-9-17-10-20-14-24(16-3-7-22(28)8-4-16)30-26(20)12-18(17)11-25(19)29-23;1-23(2,3)22-14-8-10-19(17-22)15-18-9-7-13-21(16-18)20-11-5-4-6-12-20/h7-46H,1-6H3;1-14H;4-14,16-17H,15H2,1-3H3
InChIKeyMFEIFQKGFAZCSX-UHFFFAOYSA-N
MW1688.99 g/mol
LogP35.75
Rot. Bonds15

About 2,7-bis(4-chlorophenyl)-[1]benzofuro[5,6-f][1]benzofuran;N-(3-tert-butylphenyl)-N-[4-[7-[4-(N-(3-tert-butylphenyl)-3-phenylanilino)phenyl]-[1]benzofuro[5,6-f][1]benzofuran-2-yl]phenyl]-3-phenylaniline;1-tert-butyl-3-[(3-phenylphenyl)methyl]benzene

2,7-bis(4-chlorophenyl)-[1]benzofuro[5,6-f][1]benzofuran;N-(3-tert-butylphenyl)-N-[4-[7-[4-(N-(3-tert-butylphenyl)-3-phenylanilino)phenyl]-[1]benzofuro[5,6-f][1]benzofuran-2-yl]phenyl]-3-phenylaniline;1-tert-butyl-3-[(3-phenylphenyl)methyl]benzene (PubChem CID 159549199) has the molecular formula C119H96Cl2N2O4 and a molecular weight of 1688.99 g/mol. Its IUPAC name is 2,7-bis(4-chlorophenyl)-[1]benzofuro[5,6-f][1]benzofuran;N-(3-tert-butylphenyl)-N-[4-[7-[4-(N-(3-tert-butylphenyl)-3-phenylanilino)phenyl]-[1]benzofuro[5,6-f][1]benzofuran-2-yl]phenyl]-3-phenylaniline;1-tert-butyl-3-[(3-phenylphenyl)methyl]benzene.

Molecular Properties

Compound Name2,7-bis(4-chlorophenyl)-[1]benzofuro[5,6-f][1]benzofuran;N-(3-tert-butylphenyl)-N-[4-[7-[4-(N-(3-tert-butylphenyl)-3-phenylanilino)phenyl]-[1]benzofuro[5,6-f][1]benzofuran-2-yl]phenyl]-3-phenylaniline;1-tert-butyl-3-[(3-phenylphenyl)methyl]benzene
PubChem CID159549199
Molecular FormulaC119H96Cl2N2O4
Molecular Weight1688.99 g/mol
Exact Mass1686.67
IUPAC Name2,7-bis(4-chlorophenyl)-[1]benzofuro[5,6-f][1]benzofuran;N-(3-tert-butylphenyl)-N-[4-[7-[4-(N-(3-tert-butylphenyl)-3-phenylanilino)phenyl]-[1]benzofuro[5,6-f][1]benzofuran-2-yl]phenyl]-3-phenylaniline;1-tert-butyl-3-[(3-phenylphenyl)methyl]benzene
SMILESCC(C)(C)c1cccc(Cc2cccc(-c3ccccc3)c2)c1.CC(C)(C)c1cccc(N(c2ccc(-c3cc4cc5cc6cc(-c7ccc(N(c8cccc(-c9ccccc9)c8)c8cccc(C(C)(C)C)c8)cc7)oc6cc5cc4o3)cc2)c2cccc(-c3ccccc3)c2)c1.Clc1ccc(-c2cc3cc4cc5cc(-c6ccc(Cl)cc6)oc5cc4cc3o2)cc1
InChIInChI=1S/C70H58N2O2.C26H14Cl2O2.C23H24/c1-69(2,3)57-23-15-27-63(45-57)71(61-25-13-21-51(39-61)47-17-9-7-10-18-47)59-33-29-49(30-34-59)65-43-55-37-53-38-56-44-66(74-68(56)42-54(53)41-67(55)73-65)50-31-35-60(36-32-50)72(64-28-16-24-58(46-64)70(4,5)6)62-26-14-22-52(40-62)48-19-11-8-12-20-48;27-21-5-1-15(2-6-21)23-13-19-9-17-10-20-14-24(16-3-7-22(28)8-4-16)30-26(20)12-18(17)11-25(19)29-23;1-23(2,3)22-14-8-10-19(17-22)15-18-9-7-13-21(16-18)20-11-5-4-6-12-20/h7-46H,1-6H3;1-14H;4-14,16-17H,15H2,1-3H3
InChIKeyMFEIFQKGFAZCSX-UHFFFAOYSA-N
XLogP35.75
TPSA59.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms127
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001688.99
LogP ≤ 535.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,7-bis(4-chlorophenyl)-[1]benzofuro[5,6-f][1]benzofuran;N-(3-tert-butylphenyl)-N-[4-[7-[4-(N-(3-tert-butylphenyl)-3-phenylanilino)phenyl]-[1]benzofuro[5,6-f][1]benzofuran-2-yl]phenyl]-3-phenylaniline;1-tert-butyl-3-[(3-phenylphenyl)methyl]benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis(4-chlorophenyl)-[1]benzofuro[5,6-f][1]benzofuran;N-(3-tert-butylphenyl)-N-[4-[7-[4-(N-(3-tert-butylphenyl)-3-phenylanilino)phenyl]-[1]benzofuro[5,6-f][1]benzofuran-2-yl]phenyl]-3-phenylaniline;1-tert-butyl-3-[(3-phenylphenyl)methyl]benzene?
The IUPAC name of 2,7-bis(4-chlorophenyl)-[1]benzofuro[5,6-f][1]benzofuran;N-(3-tert-butylphenyl)-N-[4-[7-[4-(N-(3-tert-butylphenyl)-3-phenylanilino)phenyl]-[1]benzofuro[5,6-f][1]benzofuran-2-yl]phenyl]-3-phenylaniline;1-tert-butyl-3-[(3-phenylphenyl)methyl]benzene (CID 159549199) is 2,7-bis(4-chlorophenyl)-[1]benzofuro[5,6-f][1]benzofuran;N-(3-tert-butylphenyl)-N-[4-[7-[4-(N-(3-tert-butylphenyl)-3-phenylanilino)phenyl]-[1]benzofuro[5,6-f][1]benzofuran-2-yl]phenyl]-3-phenylaniline;1-tert-butyl-3-[(3-phenylphenyl)methyl]benzene.
What is the SMILES notation for 2,7-bis(4-chlorophenyl)-[1]benzofuro[5,6-f][1]benzofuran;N-(3-tert-butylphenyl)-N-[4-[7-[4-(N-(3-tert-butylphenyl)-3-phenylanilino)phenyl]-[1]benzofuro[5,6-f][1]benzofuran-2-yl]phenyl]-3-phenylaniline;1-tert-butyl-3-[(3-phenylphenyl)methyl]benzene?
The canonical SMILES for 2,7-bis(4-chlorophenyl)-[1]benzofuro[5,6-f][1]benzofuran;N-(3-tert-butylphenyl)-N-[4-[7-[4-(N-(3-tert-butylphenyl)-3-phenylanilino)phenyl]-[1]benzofuro[5,6-f][1]benzofuran-2-yl]phenyl]-3-phenylaniline;1-tert-butyl-3-[(3-phenylphenyl)methyl]benzene is CC(C)(C)c1cccc(Cc2cccc(-c3ccccc3)c2)c1.CC(C)(C)c1cccc(N(c2ccc(-c3cc4cc5cc6cc(-c7ccc(N(c8cccc(-c9ccccc9)c8)c8cccc(C(C)(C)C)c8)cc7)oc6cc5cc4o3)cc2)c2cccc(-c3ccccc3)c2)c1.Clc1ccc(-c2cc3cc4cc5cc(-c6ccc(Cl)cc6)oc5cc4cc3o2)cc1.
What is the InChIKey of 2,7-bis(4-chlorophenyl)-[1]benzofuro[5,6-f][1]benzofuran;N-(3-tert-butylphenyl)-N-[4-[7-[4-(N-(3-tert-butylphenyl)-3-phenylanilino)phenyl]-[1]benzofuro[5,6-f][1]benzofuran-2-yl]phenyl]-3-phenylaniline;1-tert-butyl-3-[(3-phenylphenyl)methyl]benzene?
The InChIKey is MFEIFQKGFAZCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H58N2O2.C26H14Cl2O2.C23H24/c1-69(2,3)57-23-15-27-63(45-57)71(61-25-13-21-51(39-61)47-17-9-7-10-18-47)59-33-29-49(30-34-59)65-43-55-37-53-38-56-44-66(74-68(56)42-54(53)41-67(55)73-65)50-31-35-60(36-32-50)72(64-28-16-24-58(46-64)70(4,5)6)62-26-14-22-52(40-62)48-19-11-8-12-20-48;27-21-5-1-15(2-6-21)23-13-19-9-17-10-20-14-24(16-3-7-22(28)8-4-16)30-26(20)12-18(17)11-25(19)29-23;1-23(2,3)22-14-8-10-19(17-22)15-18-9-7-13-21(16-18)20-11-5-4-6-12-20/h7-46H,1-6H3;1-14H;4-14,16-17H,15H2,1-3H3.
What are the key properties of 2,7-bis(4-chlorophenyl)-[1]benzofuro[5,6-f][1]benzofuran;N-(3-tert-butylphenyl)-N-[4-[7-[4-(N-(3-tert-butylphenyl)-3-phenylanilino)phenyl]-[1]benzofuro[5,6-f][1]benzofuran-2-yl]phenyl]-3-phenylaniline;1-tert-butyl-3-[(3-phenylphenyl)methyl]benzene?
2,7-bis(4-chlorophenyl)-[1]benzofuro[5,6-f][1]benzofuran;N-(3-tert-butylphenyl)-N-[4-[7-[4-(N-(3-tert-butylphenyl)-3-phenylanilino)phenyl]-[1]benzofuro[5,6-f][1]benzofuran-2-yl]phenyl]-3-phenylaniline;1-tert-butyl-3-[(3-phenylphenyl)methyl]benzene has a molecular weight of 1688.99 g/mol, XLogP of 35.75, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(4-chlorophenyl)-[1]benzofuro[5,6-f][1]benzofuran;N-(3-tert-butylphenyl)-N-[4-[7-[4-(N-(3-tert-butylphenyl)-3-phenylanilino)phenyl]-[1]benzofuro[5,6-f][1]benzofuran-2-yl]phenyl]-3-phenylaniline;1-tert-butyl-3-[(3-phenylphenyl)methyl]benzene is sourced from PubChem (CID 159549199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).