N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzofuran-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine

C120H75N3O3S3 — CID 161104445

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzofuran-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine
SMILESc1ccc2c(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc4c3oc3ccccc34)cccc2c1.c1ccc2c(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc4oc5ccccc5c4c3)cccc2c1.c1ccc2c(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc4sc5ccccc5c4c3)cccc2c1
InChIInChI=1S/C40H25NO2.C40H25NOS.C40H25NS2/c1-2-12-29-26(10-1)11-7-18-35(29)41(36-19-9-17-34-32-14-4-6-21-38(32)43-40(34)36)28-24-22-27(23-25-28)30-15-8-16-33-31-13-3-5-20-37(31)42-39(30)33;1-2-11-30-26(9-1)10-7-16-36(30)41(29-23-24-38-35(25-29)32-12-3-5-17-37(32)42-38)28-21-19-27(20-22-28)31-14-8-15-34-33-13-4-6-18-39(33)43-40(31)34;1-2-11-30-26(9-1)10-7-16-36(30)41(29-23-24-39-35(25-29)33-13-4-5-17-37(33)42-39)28-21-19-27(20-22-28)31-14-8-15-34-32-12-3-6-18-38(32)43-40(31)34/h3*1-25H
InChIKeyUIVZSUVMURQOND-UHFFFAOYSA-N
MW1703.14 g/mol
LogP36.73
Rot. Bonds12

About N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzofuran-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine

N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzofuran-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine (PubChem CID 161104445) has the molecular formula C120H75N3O3S3 and a molecular weight of 1703.14 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzofuran-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzofuran-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine
PubChem CID161104445
Molecular FormulaC120H75N3O3S3
Molecular Weight1703.14 g/mol
Exact Mass1701.50
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzofuran-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine
SMILESc1ccc2c(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc4c3oc3ccccc34)cccc2c1.c1ccc2c(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc4oc5ccccc5c4c3)cccc2c1.c1ccc2c(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc4sc5ccccc5c4c3)cccc2c1
InChIInChI=1S/C40H25NO2.C40H25NOS.C40H25NS2/c1-2-12-29-26(10-1)11-7-18-35(29)41(36-19-9-17-34-32-14-4-6-21-38(32)43-40(34)36)28-24-22-27(23-25-28)30-15-8-16-33-31-13-3-5-20-37(31)42-39(30)33;1-2-11-30-26(9-1)10-7-16-36(30)41(29-23-24-38-35(25-29)32-12-3-5-17-37(32)42-38)28-21-19-27(20-22-28)31-14-8-15-34-33-13-4-6-18-39(33)43-40(31)34;1-2-11-30-26(9-1)10-7-16-36(30)41(29-23-24-39-35(25-29)33-13-4-5-17-37(33)42-39)28-21-19-27(20-22-28)31-14-8-15-34-32-12-3-6-18-38(32)43-40(31)34/h3*1-25H
InChIKeyUIVZSUVMURQOND-UHFFFAOYSA-N
XLogP36.73
TPSA49.14 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms129
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001703.14
LogP ≤ 536.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzofuran-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine with MolForge

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Related Compounds

N,N-bis(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;8-dibenzothiophen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 160881655
N-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396254
4-dibenzofuran-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-3,5-diphenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)naphthalen-1-amine;bis(N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)naphthalen-2-amine);N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-phenylaniline
CID 159591700
N,N-bis(4-dibenzofuran-2-ylphenyl)phenanthren-4-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)phenanthren-4-amine;N,N-bis(4-dibenzothiophen-4-ylphenyl)phenanthren-4-amine
CID 160723829
N-(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-phenanthren-9-yl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine;N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 157343645
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-4-phenylaniline;N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-4-phenylaniline;N-naphthalen-1-yl-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]dibenzofuran-2-amine;N-naphthalen-1-yl-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]dibenzofuran-4-amine;N-naphthalen-1-yl-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]dibenzothiophen-4-amine
CID 158022912
N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-2-amine
CID 170300504
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzofuran-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)dibenzofuran-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine
CID 165023327
N,N-bis[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylaniline;7-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline;N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenylaniline
CID 160895838
N-(4-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine
CID 164971694
N-dibenzofuran-1-yl-N-(4-dibenzothiophen-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396991
N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-amine
CID 167396373

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzofuran-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzofuran-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine (CID 161104445) is N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzofuran-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzofuran-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzofuran-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine is c1ccc2c(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc4c3oc3ccccc34)cccc2c1.c1ccc2c(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc4oc5ccccc5c4c3)cccc2c1.c1ccc2c(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc4sc5ccccc5c4c3)cccc2c1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzofuran-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine?
The InChIKey is UIVZSUVMURQOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25NO2.C40H25NOS.C40H25NS2/c1-2-12-29-26(10-1)11-7-18-35(29)41(36-19-9-17-34-32-14-4-6-21-38(32)43-40(34)36)28-24-22-27(23-25-28)30-15-8-16-33-31-13-3-5-20-37(31)42-39(30)33;1-2-11-30-26(9-1)10-7-16-36(30)41(29-23-24-38-35(25-29)32-12-3-5-17-37(32)42-38)28-21-19-27(20-22-28)31-14-8-15-34-33-13-4-6-18-39(33)43-40(31)34;1-2-11-30-26(9-1)10-7-16-36(30)41(29-23-24-39-35(25-29)33-13-4-5-17-37(33)42-39)28-21-19-27(20-22-28)31-14-8-15-34-32-12-3-6-18-38(32)43-40(31)34/h3*1-25H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzofuran-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine?
N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzofuran-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine has a molecular weight of 1703.14 g/mol, XLogP of 36.73, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzofuran-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine is sourced from PubChem (CID 161104445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).