N-(6-tert-butyldibenzothiophen-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine

C40H31NOS — CID 163507001

IUPACN-(6-tert-butyldibenzothiophen-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESCC(C)(C)c1cccc2c1sc1cccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3oc3ccccc34)c12
InChIInChI=1S/C40H31NOS/c1-40(2,3)32-17-9-16-31-37-33(18-11-21-36(37)43-39(31)32)41(28-24-22-27(23-25-28)26-12-5-4-6-13-26)34-19-10-15-30-29-14-7-8-20-35(29)42-38(30)34/h4-25H,1-3H3
InChIKeyDBFAUOINQGEFIJ-UHFFFAOYSA-N
MW573.76 g/mol
LogP12.39
Rot. Bonds4

About N-(6-tert-butyldibenzothiophen-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine

N-(6-tert-butyldibenzothiophen-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine (PubChem CID 163507001) has the molecular formula C40H31NOS and a molecular weight of 573.76 g/mol. Its IUPAC name is N-(6-tert-butyldibenzothiophen-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(6-tert-butyldibenzothiophen-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
PubChem CID163507001
Molecular FormulaC40H31NOS
Molecular Weight573.76 g/mol
Exact Mass573.21
IUPAC NameN-(6-tert-butyldibenzothiophen-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESCC(C)(C)c1cccc2c1sc1cccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3oc3ccccc34)c12
InChIInChI=1S/C40H31NOS/c1-40(2,3)32-17-9-16-31-37-33(18-11-21-36(37)43-39(31)32)41(28-24-22-27(23-25-28)26-12-5-4-6-13-26)34-19-10-15-30-29-14-7-8-20-35(29)42-38(30)34/h4-25H,1-3H3
InChIKeyDBFAUOINQGEFIJ-UHFFFAOYSA-N
XLogP12.39
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.76
LogP ≤ 512.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-phenyldibenzothiophen-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 163482612
N-dibenzothiophen-4-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 163662266
N-dibenzothiophen-1-yl-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-4-amine
CID 163746061
N-dibenzofuran-4-yl-N-dibenzothiophen-4-yl-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-dibenzothiophen-1-yl-N-(4-phenylphenyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N,N-di(dibenzofuran-3-yl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N,N-di(dibenzofuran-4-yl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine
CID 165089555
N,N-bis[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine;N,N-bis[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine;N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine;N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 164985244
N-(4-phenylphenyl)-N-(28-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.029,34]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),29,31,33,36-octadecaen-4-yl)dibenzofuran-4-amine
CID 130464753
N-dibenzothiophen-1-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine
CID 168805096
N-dibenzofuran-4-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126744
N-dibenzothiophen-4-yl-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 166566035
N-(1-phenyldibenzothiophen-4-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 171435266
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126595
11-(6-tert-butyldibenzothiophen-1-yl)-6-(3,5-diphenylphenyl)naphtho[2,3-b][1]benzofuran
CID 176777529

Frequently Asked Questions

What is the IUPAC name of N-(6-tert-butyldibenzothiophen-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-(6-tert-butyldibenzothiophen-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine (CID 163507001) is N-(6-tert-butyldibenzothiophen-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-(6-tert-butyldibenzothiophen-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-(6-tert-butyldibenzothiophen-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine is CC(C)(C)c1cccc2c1sc1cccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3oc3ccccc34)c12.
What is the InChIKey of N-(6-tert-butyldibenzothiophen-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is DBFAUOINQGEFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H31NOS/c1-40(2,3)32-17-9-16-31-37-33(18-11-21-36(37)43-39(31)32)41(28-24-22-27(23-25-28)26-12-5-4-6-13-26)34-19-10-15-30-29-14-7-8-20-35(29)42-38(30)34/h4-25H,1-3H3.
What are the key properties of N-(6-tert-butyldibenzothiophen-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine?
N-(6-tert-butyldibenzothiophen-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 573.76 g/mol, XLogP of 12.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-tert-butyldibenzothiophen-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 163507001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).