N-dibenzothiophen-4-yl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine

C174H110N4O4S4 — CID 163806431

IUPACN-dibenzothiophen-4-yl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc5c4sc4ccccc45)c4cccc5oc6ccccc6c45)cc3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(N(c4cccc5c4sc4ccccc45)c4cccc5oc6ccccc6c45)c3)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3N(c3cccc4c3sc3ccccc34)c3cccc4oc5ccccc5c34)cc2)cc1.c1ccc2c(c1)oc1cccc(N(c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)c3cccc4c3sc3ccccc34)c12
InChIInChI=1S/C48H29NOS.3C42H27NOS/c1-2-13-35-33(11-1)34-12-3-4-14-36(34)41-29-31(25-28-37(35)41)30-23-26-32(27-24-30)49(42-18-10-21-45-47(42)40-16-5-7-20-44(40)50-45)43-19-9-17-39-38-15-6-8-22-46(38)51-48(39)43;1-2-12-28(13-3-1)29-24-26-30(27-25-29)31-14-4-7-18-35(31)43(36-19-11-22-39-41(36)34-16-5-8-21-38(34)44-39)37-20-10-17-33-32-15-6-9-23-40(32)45-42(33)37;1-2-11-28(12-3-1)29-23-25-30(26-24-29)31-13-8-14-32(27-31)43(36-18-10-21-39-41(36)35-16-4-6-20-38(35)44-39)37-19-9-17-34-33-15-5-7-22-40(33)45-42(34)37;1-2-10-28(11-3-1)29-20-22-30(23-21-29)31-24-26-32(27-25-31)43(36-15-9-18-39-41(36)35-13-4-6-17-38(35)44-39)37-16-8-14-34-33-12-5-7-19-40(33)45-42(34)37/h1-29H;3*1-27H
InChIKeyNJKYUHMIPNEAJQ-UHFFFAOYSA-N
MW2449.09 g/mol
LogP52.82
Rot. Bonds19

About N-dibenzothiophen-4-yl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine

N-dibenzothiophen-4-yl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine (PubChem CID 163806431) has the molecular formula C174H110N4O4S4 and a molecular weight of 2449.09 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine
PubChem CID163806431
Molecular FormulaC174H110N4O4S4
Molecular Weight2449.09 g/mol
Exact Mass2446.74
IUPAC NameN-dibenzothiophen-4-yl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc5c4sc4ccccc45)c4cccc5oc6ccccc6c45)cc3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(N(c4cccc5c4sc4ccccc45)c4cccc5oc6ccccc6c45)c3)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3N(c3cccc4c3sc3ccccc34)c3cccc4oc5ccccc5c34)cc2)cc1.c1ccc2c(c1)oc1cccc(N(c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)c3cccc4c3sc3ccccc34)c12
InChIInChI=1S/C48H29NOS.3C42H27NOS/c1-2-13-35-33(11-1)34-12-3-4-14-36(34)41-29-31(25-28-37(35)41)30-23-26-32(27-24-30)49(42-18-10-21-45-47(42)40-16-5-7-20-44(40)50-45)43-19-9-17-39-38-15-6-8-22-46(38)51-48(39)43;1-2-12-28(13-3-1)29-24-26-30(27-25-29)31-14-4-7-18-35(31)43(36-19-11-22-39-41(36)34-16-5-8-21-38(34)44-39)37-20-10-17-33-32-15-6-9-23-40(32)45-42(33)37;1-2-11-28(12-3-1)29-23-25-30(26-24-29)31-13-8-14-32(27-31)43(36-18-10-21-39-41(36)35-16-4-6-20-38(35)44-39)37-19-9-17-34-33-15-5-7-22-40(33)45-42(34)37;1-2-10-28(11-3-1)29-20-22-30(23-21-29)31-24-26-32(27-25-31)43(36-15-9-18-39-41(36)35-13-4-6-17-38(35)44-39)37-16-8-14-34-33-12-5-7-19-40(33)45-42(34)37/h1-29H;3*1-27H
InChIKeyNJKYUHMIPNEAJQ-UHFFFAOYSA-N
XLogP52.82
TPSA65.52 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002449.09
LogP ≤ 552.82
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-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine with MolForge

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Related Compounds

N-dibenzothiophen-4-yl-N-[2-[3-(2-phenyl-N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]dibenzofuran-1-amine
CID 167086793
N-(3-dibenzothiophen-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186779
N-(4-dibenzothiophen-4-ylphenyl)-N-(2,5-diphenylphenyl)dibenzofuran-1-amine
CID 155186941
N-(4-dibenzothiophen-4-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine
CID 167397298
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 174322209
N-dibenzothiophen-4-yl-N-[4-(6-phenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 154605749
N-(2-dibenzofuran-1-ylphenyl)-N-phenyldibenzofuran-1-amine;N-(2-dibenzofuran-1-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-1-amine;N-(2-dibenzofuran-1-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine;N-(2-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine;N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 158387257
N-[3-[4-(3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 177084667
N-(4-dibenzothiophen-3-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 172502200
N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)dibenzothiophen-4-amine
CID 164955404
N-[3-[3-[dibenzofuran-3-yl(dibenzothiophen-4-yl)amino]phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 167086280
N-[3-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 177084663

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-dibenzothiophen-4-yl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine (CID 163806431) is N-dibenzothiophen-4-yl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine is c1ccc(-c2ccc(-c3ccc(N(c4cccc5c4sc4ccccc45)c4cccc5oc6ccccc6c45)cc3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(N(c4cccc5c4sc4ccccc45)c4cccc5oc6ccccc6c45)c3)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3N(c3cccc4c3sc3ccccc34)c3cccc4oc5ccccc5c34)cc2)cc1.c1ccc2c(c1)oc1cccc(N(c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)c3cccc4c3sc3ccccc34)c12.
What is the InChIKey of N-dibenzothiophen-4-yl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine?
The InChIKey is NJKYUHMIPNEAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NOS.3C42H27NOS/c1-2-13-35-33(11-1)34-12-3-4-14-36(34)41-29-31(25-28-37(35)41)30-23-26-32(27-24-30)49(42-18-10-21-45-47(42)40-16-5-7-20-44(40)50-45)43-19-9-17-39-38-15-6-8-22-46(38)51-48(39)43;1-2-12-28(13-3-1)29-24-26-30(27-25-29)31-14-4-7-18-35(31)43(36-19-11-22-39-41(36)34-16-5-8-21-38(34)44-39)37-20-10-17-33-32-15-6-9-23-40(32)45-42(33)37;1-2-11-28(12-3-1)29-23-25-30(26-24-29)31-13-8-14-32(27-31)43(36-18-10-21-39-41(36)35-16-4-6-20-38(35)44-39)37-19-9-17-34-33-15-5-7-22-40(33)45-42(34)37;1-2-10-28(11-3-1)29-20-22-30(23-21-29)31-24-26-32(27-25-31)43(36-15-9-18-39-41(36)35-13-4-6-17-38(35)44-39)37-16-8-14-34-33-12-5-7-19-40(33)45-42(34)37/h1-29H;3*1-27H.
What are the key properties of N-dibenzothiophen-4-yl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine?
N-dibenzothiophen-4-yl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine has a molecular weight of 2449.09 g/mol, XLogP of 52.82, 19 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-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-dibenzothiophen-4-yl-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 163806431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).