N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-amine

C42H25NO2S — CID 167396373

IUPACN-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-amine
SMILESc1ccc(-c2cccc3c2oc2c(N(c4ccc5c(c4)oc4ccccc45)c4ccc5sc6ccccc6c5c4)cccc23)cc1
InChIInChI=1S/C42H25NO2S/c1-2-10-26(11-3-1)29-14-8-15-33-34-16-9-17-36(42(34)45-41(29)33)43(27-21-23-40-35(24-27)32-13-5-7-19-39(32)46-40)28-20-22-31-30-12-4-6-18-37(30)44-38(31)25-28/h1-25H
InChIKeyAWWHKPFBDMXXQC-UHFFFAOYSA-N
MW607.73 g/mol
LogP12.99
Rot. Bonds4

About N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-amine

N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-amine (PubChem CID 167396373) has the molecular formula C42H25NO2S and a molecular weight of 607.73 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-amine
PubChem CID167396373
Molecular FormulaC42H25NO2S
Molecular Weight607.73 g/mol
Exact Mass607.16
IUPAC NameN-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-amine
SMILESc1ccc(-c2cccc3c2oc2c(N(c4ccc5c(c4)oc4ccccc45)c4ccc5sc6ccccc6c5c4)cccc23)cc1
InChIInChI=1S/C42H25NO2S/c1-2-10-26(11-3-1)29-14-8-15-33-34-16-9-17-36(42(34)45-41(29)33)43(27-21-23-40-35(24-27)32-13-5-7-19-39(32)46-40)28-20-22-31-30-12-4-6-18-37(30)44-38(31)25-28/h1-25H
InChIKeyAWWHKPFBDMXXQC-UHFFFAOYSA-N
XLogP12.99
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.73
LogP ≤ 512.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzothiophen-2-yl-6-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 167396326
N-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396254
N-dibenzofuran-3-yl-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyldibenzofuran-4-amine
CID 167397866
N-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 167397670
N-dibenzothiophen-2-yl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-(4-triphenylen-2-ylphenyl)dibenzofuran-4-amine
CID 163977940
5-N-dibenzofuran-3-yl-18-N-dibenzofuran-4-yl-5-N,18-N-bis(2-phenylphenyl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N-dibenzofuran-3-yl-18-N-dibenzofuran-4-yl-5-N-phenyl-18-N-(2-phenylphenyl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;18-N-dibenzofuran-4-yl-5-N-dibenzothiophen-2-yl-5-N,18-N-bis(2-phenylphenyl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 158660183
N-dibenzothiophen-2-yl-6-phenyl-N-(6-phenyldibenzothiophen-1-yl)dibenzofuran-4-amine
CID 167397749
N-dibenzothiophen-2-yl-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396444
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
N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine
CID 172502531
N-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397725
N-[4-[4-(N-dibenzothiophen-2-ylanilino)naphthalen-1-yl]phenyl]-N-phenyldibenzofuran-3-amine
CID 153299753

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-amine (CID 167396373) is N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-amine is c1ccc(-c2cccc3c2oc2c(N(c4ccc5c(c4)oc4ccccc45)c4ccc5sc6ccccc6c5c4)cccc23)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-amine?
The InChIKey is AWWHKPFBDMXXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25NO2S/c1-2-10-26(11-3-1)29-14-8-15-33-34-16-9-17-36(42(34)45-41(29)33)43(27-21-23-40-35(24-27)32-13-5-7-19-39(32)46-40)28-20-22-31-30-12-4-6-18-37(30)44-38(31)25-28/h1-25H.
What are the key properties of N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-amine?
N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-amine has a molecular weight of 607.73 g/mol, XLogP of 12.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-amine is sourced from PubChem (CID 167396373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).