N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-phenylphenyl)dibenzofuran-4-amine

C160H100N4O4S4 — CID 163970768

IUPACN-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3cccc4c3oc3ccccc34)c3cccc4c3sc3ccccc34)cc2)cc1.c1ccc2c(-c3ccc(N(c4cccc5c4oc4ccccc45)c4cccc5c4sc4ccccc45)cc3)cccc2c1.c1ccc2c(c1)cc(-c1ccc(N(c3cccc4c3oc3ccccc34)c3cccc4c3sc3ccccc34)cc1)c1ccccc12.c1ccc2cc(-c3ccc(N(c4cccc5c4oc4ccccc45)c4cccc5c4sc4ccccc45)cc3)ccc2c1
InChIInChI=1S/C44H27NOS.2C40H25NOS.C36H23NOS/c1-2-12-31-29(11-1)27-38(33-14-4-3-13-32(31)33)28-23-25-30(26-24-28)45(39-19-9-17-36-34-15-5-7-21-41(34)46-43(36)39)40-20-10-18-37-35-16-6-8-22-42(35)47-44(37)40;1-2-12-29-26(10-1)11-7-15-30(29)27-22-24-28(25-23-27)41(35-18-8-16-33-31-13-3-5-20-37(31)42-39(33)35)36-19-9-17-34-32-14-4-6-21-38(32)43-40(34)36;1-2-10-28-25-29(20-19-26(28)9-1)27-21-23-30(24-22-27)41(35-15-7-13-33-31-11-3-5-17-37(31)42-39(33)35)36-16-8-14-34-32-12-4-6-18-38(32)43-40(34)36;1-2-10-24(11-3-1)25-20-22-26(23-21-25)37(31-16-8-14-29-27-12-4-6-18-33(27)38-35(29)31)32-17-9-15-30-28-13-5-7-19-34(28)39-36(30)32/h1-27H;2*1-25H;1-23H
InChIKeySPUVYLICWFIMJU-UHFFFAOYSA-N
MW2270.85 g/mol
LogP48.98
Rot. Bonds16

About N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-phenylphenyl)dibenzofuran-4-amine

N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-phenylphenyl)dibenzofuran-4-amine (PubChem CID 163970768) has the molecular formula C160H100N4O4S4 and a molecular weight of 2270.85 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
PubChem CID163970768
Molecular FormulaC160H100N4O4S4
Molecular Weight2270.85 g/mol
Exact Mass2268.66
IUPAC NameN-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3cccc4c3oc3ccccc34)c3cccc4c3sc3ccccc34)cc2)cc1.c1ccc2c(-c3ccc(N(c4cccc5c4oc4ccccc45)c4cccc5c4sc4ccccc45)cc3)cccc2c1.c1ccc2c(c1)cc(-c1ccc(N(c3cccc4c3oc3ccccc34)c3cccc4c3sc3ccccc34)cc1)c1ccccc12.c1ccc2cc(-c3ccc(N(c4cccc5c4oc4ccccc45)c4cccc5c4sc4ccccc45)cc3)ccc2c1
InChIInChI=1S/C44H27NOS.2C40H25NOS.C36H23NOS/c1-2-12-31-29(11-1)27-38(33-14-4-3-13-32(31)33)28-23-25-30(26-24-28)45(39-19-9-17-36-34-15-5-7-21-41(34)46-43(36)39)40-20-10-18-37-35-16-6-8-22-42(35)47-44(37)40;1-2-12-29-26(10-1)11-7-15-30(29)27-22-24-28(25-23-27)41(35-18-8-16-33-31-13-3-5-20-37(31)42-39(33)35)36-19-9-17-34-32-14-4-6-21-38(32)43-40(34)36;1-2-10-28-25-29(20-19-26(28)9-1)27-21-23-30(24-22-27)41(35-15-7-13-33-31-11-3-5-17-37(31)42-39(33)35)36-16-8-14-34-32-12-4-6-18-38(32)43-40(34)36;1-2-10-24(11-3-1)25-20-22-26(23-21-25)37(31-16-8-14-29-27-12-4-6-18-33(27)38-35(29)31)32-17-9-15-30-28-13-5-7-19-34(28)39-36(30)32/h1-27H;2*1-25H;1-23H
InChIKeySPUVYLICWFIMJU-UHFFFAOYSA-N
XLogP48.98
TPSA65.52 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002270.85
LogP ≤ 548.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-phenylphenyl)dibenzofuran-4-amine with MolForge

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Related Compounds

N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
CID 154605617
N-dibenzothiophen-4-yl-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 166566035
N-(3-dibenzofuran-2-yl-5-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-4-amine;N-(3-dibenzofuran-2-yl-5-phenylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-4-amine;N-(3-dibenzofuran-2-yl-5-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine;N-(3-dibenzofuran-2-yl-5-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 158542186
N-dibenzothiophen-4-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 163662266
N,N-bis(4-naphthalen-1-ylphenyl)-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-bis(4-naphthalen-2-ylphenyl)-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-(4-phenanthren-9-ylphenyl)-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-(2-phenylphenyl)-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
CID 164972335
N,N-bis(4-naphthalen-1-ylphenyl)-8-phenylphenanthren-1-amine;N-(4-naphthalen-1-ylphenyl)-N-(8-phenylphenanthren-1-yl)dibenzofuran-3-amine;N-(4-naphthalen-1-ylphenyl)-N-(8-phenylphenanthren-1-yl)dibenzothiophen-4-amine;N-(4-naphthalen-1-ylphenyl)-8-phenyl-N-(4-phenylphenyl)phenanthren-1-amine
CID 157163450
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159541648
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline
CID 158802733
N-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-[4-(7-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 164974665
N-(4-naphthalen-1-ylphenyl)-N-[4-(7-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 154605620
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-4-amine
CID 167235379
N-(4-naphthalen-1-ylphenyl)-N-naphtho[2,1-b][1]benzothiol-6-yldibenzofuran-4-amine
CID 170040287

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-phenylphenyl)dibenzofuran-4-amine (CID 163970768) is N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-phenylphenyl)dibenzofuran-4-amine is c1ccc(-c2ccc(N(c3cccc4c3oc3ccccc34)c3cccc4c3sc3ccccc34)cc2)cc1.c1ccc2c(-c3ccc(N(c4cccc5c4oc4ccccc45)c4cccc5c4sc4ccccc45)cc3)cccc2c1.c1ccc2c(c1)cc(-c1ccc(N(c3cccc4c3oc3ccccc34)c3cccc4c3sc3ccccc34)cc1)c1ccccc12.c1ccc2cc(-c3ccc(N(c4cccc5c4oc4ccccc45)c4cccc5c4sc4ccccc45)cc3)ccc2c1.
What is the InChIKey of N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is SPUVYLICWFIMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27NOS.2C40H25NOS.C36H23NOS/c1-2-12-31-29(11-1)27-38(33-14-4-3-13-32(31)33)28-23-25-30(26-24-28)45(39-19-9-17-36-34-15-5-7-21-41(34)46-43(36)39)40-20-10-18-37-35-16-6-8-22-42(35)47-44(37)40;1-2-12-29-26(10-1)11-7-15-30(29)27-22-24-28(25-23-27)41(35-18-8-16-33-31-13-3-5-20-37(31)42-39(33)35)36-19-9-17-34-32-14-4-6-21-38(32)43-40(34)36;1-2-10-28-25-29(20-19-26(28)9-1)27-21-23-30(24-22-27)41(35-15-7-13-33-31-11-3-5-17-37(31)42-39(33)35)36-16-8-14-34-32-12-4-6-18-38(32)43-40(34)36;1-2-10-24(11-3-1)25-20-22-26(23-21-25)37(31-16-8-14-29-27-12-4-6-18-33(27)38-35(29)31)32-17-9-15-30-28-13-5-7-19-34(28)39-36(30)32/h1-27H;2*1-25H;1-23H.
What are the key properties of N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-phenylphenyl)dibenzofuran-4-amine?
N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 2270.85 g/mol, XLogP of 48.98, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 163970768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).