N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]naphthalen-2-amine;N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline

C102H68N2O4 — CID 165085656

IUPACN,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]naphthalen-2-amine;N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cc6ccccc6o5)cc4)cc3)c3ccc(-c4ccc(-c5cc6ccccc6o5)cc4)cc3)cc2)cc1.c1ccc2cc(N(c3ccc(-c4ccc(-c5cc6ccccc6o5)cc4)cc3)c3ccc(-c4ccc(-c5cc6ccccc6o5)cc4)cc3)ccc2c1
InChIInChI=1S/C52H35NO2.C50H33NO2/c1-2-8-36(9-3-1)39-22-28-46(29-23-39)53(47-30-24-40(25-31-47)37-14-18-42(19-15-37)51-34-44-10-4-6-12-49(44)54-51)48-32-26-41(27-33-48)38-16-20-43(21-17-38)52-35-45-11-5-7-13-50(45)55-52;1-2-8-41-31-46(30-25-34(41)7-1)51(44-26-21-37(22-27-44)35-13-17-39(18-14-35)49-32-42-9-3-5-11-47(42)52-49)45-28-23-38(24-29-45)36-15-19-40(20-16-36)50-33-43-10-4-6-12-48(43)53-50/h1-35H;1-33H
InChIKeyVWBNSFWWRGMTLS-UHFFFAOYSA-N
MW1385.68 g/mol
LogP29.45
Rot. Bonds15

About N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]naphthalen-2-amine;N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline

N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]naphthalen-2-amine;N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline (PubChem CID 165085656) has the molecular formula C102H68N2O4 and a molecular weight of 1385.68 g/mol. Its IUPAC name is N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]naphthalen-2-amine;N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline.

Molecular Properties

Compound NameN,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]naphthalen-2-amine;N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline
PubChem CID165085656
Molecular FormulaC102H68N2O4
Molecular Weight1385.68 g/mol
Exact Mass1384.52
IUPAC NameN,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]naphthalen-2-amine;N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cc6ccccc6o5)cc4)cc3)c3ccc(-c4ccc(-c5cc6ccccc6o5)cc4)cc3)cc2)cc1.c1ccc2cc(N(c3ccc(-c4ccc(-c5cc6ccccc6o5)cc4)cc3)c3ccc(-c4ccc(-c5cc6ccccc6o5)cc4)cc3)ccc2c1
InChIInChI=1S/C52H35NO2.C50H33NO2/c1-2-8-36(9-3-1)39-22-28-46(29-23-39)53(47-30-24-40(25-31-47)37-14-18-42(19-15-37)51-34-44-10-4-6-12-49(44)54-51)48-32-26-41(27-33-48)38-16-20-43(21-17-38)52-35-45-11-5-7-13-50(45)55-52;1-2-8-41-31-46(30-25-34(41)7-1)51(44-26-21-37(22-27-44)35-13-17-39(18-14-35)49-32-42-9-3-5-11-47(42)52-49)45-28-23-38(24-29-45)36-15-19-40(20-16-36)50-33-43-10-4-6-12-48(43)53-50/h1-35H;1-33H
InChIKeyVWBNSFWWRGMTLS-UHFFFAOYSA-N
XLogP29.45
TPSA59.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001385.68
LogP ≤ 529.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-naphthalen-2-ylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-(4-naphthalen-2-ylphenyl)aniline;N,4-bis[4-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
CID 165046109
6-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 170400574
N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]naphthalen-2-amine
CID 170398542
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)naphthalen-2-amine
CID 170398146
4-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenylaniline
CID 164744662
N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 170398550
N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenylaniline
CID 170398637
3-(1-benzofuran-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 170402049
3-(1-benzofuran-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 170402040
4-(1-benzofuran-2-yl)-N,N-diphenylaniline
CID 139080403
N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-2-amine
CID 170398533
3-(1-benzofuran-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398602

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]naphthalen-2-amine;N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline?
The IUPAC name of N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]naphthalen-2-amine;N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline (CID 165085656) is N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]naphthalen-2-amine;N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline.
What is the SMILES notation for N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]naphthalen-2-amine;N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline?
The canonical SMILES for N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]naphthalen-2-amine;N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cc6ccccc6o5)cc4)cc3)c3ccc(-c4ccc(-c5cc6ccccc6o5)cc4)cc3)cc2)cc1.c1ccc2cc(N(c3ccc(-c4ccc(-c5cc6ccccc6o5)cc4)cc3)c3ccc(-c4ccc(-c5cc6ccccc6o5)cc4)cc3)ccc2c1.
What is the InChIKey of N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]naphthalen-2-amine;N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline?
The InChIKey is VWBNSFWWRGMTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NO2.C50H33NO2/c1-2-8-36(9-3-1)39-22-28-46(29-23-39)53(47-30-24-40(25-31-47)37-14-18-42(19-15-37)51-34-44-10-4-6-12-49(44)54-51)48-32-26-41(27-33-48)38-16-20-43(21-17-38)52-35-45-11-5-7-13-50(45)55-52;1-2-8-41-31-46(30-25-34(41)7-1)51(44-26-21-37(22-27-44)35-13-17-39(18-14-35)49-32-42-9-3-5-11-47(42)52-49)45-28-23-38(24-29-45)36-15-19-40(20-16-36)50-33-43-10-4-6-12-48(43)53-50/h1-35H;1-33H.
What are the key properties of N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]naphthalen-2-amine;N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline?
N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]naphthalen-2-amine;N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline has a molecular weight of 1385.68 g/mol, XLogP of 29.45, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]naphthalen-2-amine;N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline is sourced from PubChem (CID 165085656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).