N-[4-[4-[3-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzofuro[2,3-c]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzothiolo[2,3-b]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzothiolo[3,2-b]pyridin-6-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-[3-([1]benzothiolo[2,3-c]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline

C241H164N10O2S3 — CID 158072641

IUPACN-[4-[4-[3-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzofuro[2,3-c]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzothiolo[2,3-b]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzothiolo[3,2-b]pyridin-6-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-[3-([1]benzothiolo[2,3-c]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5cccc(-c6cccc7c6sc6cccnc67)c5)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5cccc(-c6cccc7c6oc6cnccc67)c5)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5cccc(-c6cccc7c6oc6ncccc67)c5)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5cccc(-c6cccc7c6sc6cnccc67)c5)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5cccc(-c6cccc7c6sc6ncccc67)c5)cc4)cc3)cc2)cc1
InChIInChI=1S/C53H36N2S.2C47H32N2O.2C47H32N2S/c1-3-10-37(11-4-1)40-23-29-46(30-24-40)55(47-31-25-41(26-32-47)38-12-5-2-6-13-38)48-33-27-42(28-34-48)39-19-21-43(22-20-39)44-14-7-15-45(36-44)49-16-8-17-50-52-51(56-53(49)50)18-9-35-54-52;1-3-10-33(11-4-1)35-23-27-41(28-24-35)49(40-14-5-2-6-15-40)42-29-25-36(26-30-42)34-19-21-37(22-20-34)38-12-7-13-39(32-38)43-16-8-17-44-45-18-9-31-48-47(45)50-46(43)44;1-3-9-33(10-4-1)35-21-25-41(26-22-35)49(40-13-5-2-6-14-40)42-27-23-36(24-28-42)34-17-19-37(20-18-34)38-11-7-12-39(31-38)43-15-8-16-45-44-29-30-48-32-46(44)50-47(43)45;1-3-10-33(11-4-1)35-23-27-41(28-24-35)49(40-14-5-2-6-15-40)42-29-25-36(26-30-42)34-19-21-37(22-20-34)38-12-7-13-39(32-38)43-16-8-17-44-45-18-9-31-48-47(45)50-46(43)44;1-3-9-33(10-4-1)35-21-25-41(26-22-35)49(40-13-5-2-6-14-40)42-27-23-36(24-28-42)34-17-19-37(20-18-34)38-11-7-12-39(31-38)43-15-8-16-45-44-29-30-48-32-46(44)50-47(43)45/h1-36H;4*1-32H
InChIKeyFLZPGPIYAHCQKG-UHFFFAOYSA-N
MW3328.23 g/mol
LogP68.67
Rot. Bonds36

About N-[4-[4-[3-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzofuro[2,3-c]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzothiolo[2,3-b]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzothiolo[3,2-b]pyridin-6-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-[3-([1]benzothiolo[2,3-c]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline

N-[4-[4-[3-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzofuro[2,3-c]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzothiolo[2,3-b]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzothiolo[3,2-b]pyridin-6-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-[3-([1]benzothiolo[2,3-c]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline (PubChem CID 158072641) has the molecular formula C241H164N10O2S3 and a molecular weight of 3328.23 g/mol. Its IUPAC name is N-[4-[4-[3-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzofuro[2,3-c]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzothiolo[2,3-b]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzothiolo[3,2-b]pyridin-6-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-[3-([1]benzothiolo[2,3-c]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline.

Molecular Properties

Compound NameN-[4-[4-[3-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzofuro[2,3-c]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzothiolo[2,3-b]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzothiolo[3,2-b]pyridin-6-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-[3-([1]benzothiolo[2,3-c]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline
PubChem CID158072641
Molecular FormulaC241H164N10O2S3
Molecular Weight3328.23 g/mol
Exact Mass3325.22
IUPAC NameN-[4-[4-[3-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzofuro[2,3-c]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzothiolo[2,3-b]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzothiolo[3,2-b]pyridin-6-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-[3-([1]benzothiolo[2,3-c]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5cccc(-c6cccc7c6sc6cccnc67)c5)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5cccc(-c6cccc7c6oc6cnccc67)c5)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5cccc(-c6cccc7c6oc6ncccc67)c5)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5cccc(-c6cccc7c6sc6cnccc67)c5)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5cccc(-c6cccc7c6sc6ncccc67)c5)cc4)cc3)cc2)cc1
InChIInChI=1S/C53H36N2S.2C47H32N2O.2C47H32N2S/c1-3-10-37(11-4-1)40-23-29-46(30-24-40)55(47-31-25-41(26-32-47)38-12-5-2-6-13-38)48-33-27-42(28-34-48)39-19-21-43(22-20-39)44-14-7-15-45(36-44)49-16-8-17-50-52-51(56-53(49)50)18-9-35-54-52;1-3-10-33(11-4-1)35-23-27-41(28-24-35)49(40-14-5-2-6-15-40)42-29-25-36(26-30-42)34-19-21-37(22-20-34)38-12-7-13-39(32-38)43-16-8-17-44-45-18-9-31-48-47(45)50-46(43)44;1-3-9-33(10-4-1)35-21-25-41(26-22-35)49(40-13-5-2-6-14-40)42-27-23-36(24-28-42)34-17-19-37(20-18-34)38-11-7-12-39(31-38)43-15-8-16-45-44-29-30-48-32-46(44)50-47(43)45;1-3-10-33(11-4-1)35-23-27-41(28-24-35)49(40-14-5-2-6-15-40)42-29-25-36(26-30-42)34-19-21-37(22-20-34)38-12-7-13-39(32-38)43-16-8-17-44-45-18-9-31-48-47(45)50-46(43)44;1-3-9-33(10-4-1)35-21-25-41(26-22-35)49(40-13-5-2-6-14-40)42-27-23-36(24-28-42)34-17-19-37(20-18-34)38-11-7-12-39(31-38)43-15-8-16-45-44-29-30-48-32-46(44)50-47(43)45/h1-36H;4*1-32H
InChIKeyFLZPGPIYAHCQKG-UHFFFAOYSA-N
XLogP68.67
TPSA106.93 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds36
Heavy Atoms256
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003328.23
LogP ≤ 568.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze N-[4-[4-[3-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzofuro[2,3-c]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzothiolo[2,3-b]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzothiolo[3,2-b]pyridin-6-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-[3-([1]benzothiolo[2,3-c]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzofuro[2,3-c]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzothiolo[2,3-b]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzothiolo[3,2-b]pyridin-6-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-[3-([1]benzothiolo[2,3-c]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline?
The IUPAC name of N-[4-[4-[3-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzofuro[2,3-c]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzothiolo[2,3-b]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzothiolo[3,2-b]pyridin-6-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-[3-([1]benzothiolo[2,3-c]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline (CID 158072641) is N-[4-[4-[3-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzofuro[2,3-c]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzothiolo[2,3-b]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzothiolo[3,2-b]pyridin-6-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-[3-([1]benzothiolo[2,3-c]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline.
What is the SMILES notation for N-[4-[4-[3-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzofuro[2,3-c]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzothiolo[2,3-b]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzothiolo[3,2-b]pyridin-6-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-[3-([1]benzothiolo[2,3-c]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline?
The canonical SMILES for N-[4-[4-[3-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzofuro[2,3-c]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzothiolo[2,3-b]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzothiolo[3,2-b]pyridin-6-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-[3-([1]benzothiolo[2,3-c]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5cccc(-c6cccc7c6sc6cccnc67)c5)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5cccc(-c6cccc7c6oc6cnccc67)c5)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5cccc(-c6cccc7c6oc6ncccc67)c5)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5cccc(-c6cccc7c6sc6cnccc67)c5)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5cccc(-c6cccc7c6sc6ncccc67)c5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-[3-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzofuro[2,3-c]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzothiolo[2,3-b]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzothiolo[3,2-b]pyridin-6-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-[3-([1]benzothiolo[2,3-c]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline?
The InChIKey is FLZPGPIYAHCQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N2S.2C47H32N2O.2C47H32N2S/c1-3-10-37(11-4-1)40-23-29-46(30-24-40)55(47-31-25-41(26-32-47)38-12-5-2-6-13-38)48-33-27-42(28-34-48)39-19-21-43(22-20-39)44-14-7-15-45(36-44)49-16-8-17-50-52-51(56-53(49)50)18-9-35-54-52;1-3-10-33(11-4-1)35-23-27-41(28-24-35)49(40-14-5-2-6-15-40)42-29-25-36(26-30-42)34-19-21-37(22-20-34)38-12-7-13-39(32-38)43-16-8-17-44-45-18-9-31-48-47(45)50-46(43)44;1-3-9-33(10-4-1)35-21-25-41(26-22-35)49(40-13-5-2-6-14-40)42-27-23-36(24-28-42)34-17-19-37(20-18-34)38-11-7-12-39(31-38)43-15-8-16-45-44-29-30-48-32-46(44)50-47(43)45;1-3-10-33(11-4-1)35-23-27-41(28-24-35)49(40-14-5-2-6-15-40)42-29-25-36(26-30-42)34-19-21-37(22-20-34)38-12-7-13-39(32-38)43-16-8-17-44-45-18-9-31-48-47(45)50-46(43)44;1-3-9-33(10-4-1)35-21-25-41(26-22-35)49(40-13-5-2-6-14-40)42-27-23-36(24-28-42)34-17-19-37(20-18-34)38-11-7-12-39(31-38)43-15-8-16-45-44-29-30-48-32-46(44)50-47(43)45/h1-36H;4*1-32H.
What are the key properties of N-[4-[4-[3-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzofuro[2,3-c]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzothiolo[2,3-b]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzothiolo[3,2-b]pyridin-6-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-[3-([1]benzothiolo[2,3-c]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline?
N-[4-[4-[3-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzofuro[2,3-c]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzothiolo[2,3-b]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzothiolo[3,2-b]pyridin-6-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-[3-([1]benzothiolo[2,3-c]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline has a molecular weight of 3328.23 g/mol, XLogP of 68.67, 36 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[3-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzofuro[2,3-c]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzothiolo[2,3-b]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzothiolo[3,2-b]pyridin-6-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-[3-([1]benzothiolo[2,3-c]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline is sourced from PubChem (CID 158072641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).