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

C150H93N3O4S2 — CID 160723829

IUPACN,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
SMILESc1ccc2c(c1)ccc1cccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c12.c1ccc2c(c1)ccc1cccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)c12.c1ccc2c(c1)ccc1cccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)c12
InChIInChI=1S/2C50H31NO2.C50H31NS2/c1-2-12-38-32(10-1)22-23-35-11-7-19-45(48(35)38)51(36-28-24-33(25-29-36)39-15-8-17-43-41-13-3-5-20-46(41)52-49(39)43)37-30-26-34(27-31-37)40-16-9-18-44-42-14-4-6-21-47(42)53-50(40)44;1-2-10-40-34(8-1)16-17-35-9-7-13-45(50(35)40)51(38-24-18-32(19-25-38)36-22-28-48-43(30-36)41-11-3-5-14-46(41)52-48)39-26-20-33(21-27-39)37-23-29-49-44(31-37)42-12-4-6-15-47(42)53-49;1-2-12-38-32(10-1)22-23-35-11-7-19-45(48(35)38)51(36-28-24-33(25-29-36)39-15-8-17-43-41-13-3-5-20-46(41)52-49(39)43)37-30-26-34(27-31-37)40-16-9-18-44-42-14-4-6-21-47(42)53-50(40)44/h3*1-31H
InChIKeyRTLFZWOMINARJD-UHFFFAOYSA-N
MW2065.54 g/mol
LogP44.72
Rot. Bonds15

About 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

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 (PubChem CID 160723829) has the molecular formula C150H93N3O4S2 and a molecular weight of 2065.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID160723829
Molecular FormulaC150H93N3O4S2
Molecular Weight2065.54 g/mol
Exact Mass2063.66
IUPAC NameN,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
SMILESc1ccc2c(c1)ccc1cccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c12.c1ccc2c(c1)ccc1cccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)c12.c1ccc2c(c1)ccc1cccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)c12
InChIInChI=1S/2C50H31NO2.C50H31NS2/c1-2-12-38-32(10-1)22-23-35-11-7-19-45(48(35)38)51(36-28-24-33(25-29-36)39-15-8-17-43-41-13-3-5-20-46(41)52-49(39)43)37-30-26-34(27-31-37)40-16-9-18-44-42-14-4-6-21-47(42)53-50(40)44;1-2-10-40-34(8-1)16-17-35-9-7-13-45(50(35)40)51(38-24-18-32(19-25-38)36-22-28-48-43(30-36)41-11-3-5-14-46(41)52-48)39-26-20-33(21-27-39)37-23-29-49-44(31-37)42-12-4-6-15-47(42)53-49;1-2-12-38-32(10-1)22-23-35-11-7-19-45(48(35)38)51(36-28-24-33(25-29-36)39-15-8-17-43-41-13-3-5-20-46(41)52-49(39)43)37-30-26-34(27-31-37)40-16-9-18-44-42-14-4-6-21-47(42)53-50(40)44/h3*1-31H
InChIKeyRTLFZWOMINARJD-UHFFFAOYSA-N
XLogP44.72
TPSA62.28 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms159
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002065.54
LogP ≤ 544.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

4-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 118406191
N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 167325168
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-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
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-(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-benzo[c]phenanthren-2-ylphenyl)-N-dibenzothiophen-4-yldibenzofuran-2-amine
CID 167182355
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine
CID 164972461
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 168804932
N-[4-[8-[5-[3-[2-(4-dibenzofuran-3-yl-N-dibenzothiophen-4-ylanilino)phenyl]phenyl]naphthalen-1-yl]dibenzofuran-4-yl]phenyl]-N-[2-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 170015914
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-4-amine
CID 135271698
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)ccc1cccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c12.c1ccc2c(c1)ccc1cccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)c12.c1ccc2c(c1)ccc1cccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)c12.
What is the InChIKey of 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?
The InChIKey is RTLFZWOMINARJD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C50H31NO2.C50H31NS2/c1-2-12-38-32(10-1)22-23-35-11-7-19-45(48(35)38)51(36-28-24-33(25-29-36)39-15-8-17-43-41-13-3-5-20-46(41)52-49(39)43)37-30-26-34(27-31-37)40-16-9-18-44-42-14-4-6-21-47(42)53-50(40)44;1-2-10-40-34(8-1)16-17-35-9-7-13-45(50(35)40)51(38-24-18-32(19-25-38)36-22-28-48-43(30-36)41-11-3-5-14-46(41)52-48)39-26-20-33(21-27-39)37-23-29-49-44(31-37)42-12-4-6-15-47(42)53-49;1-2-12-38-32(10-1)22-23-35-11-7-19-45(48(35)38)51(36-28-24-33(25-29-36)39-15-8-17-43-41-13-3-5-20-46(41)52-49(39)43)37-30-26-34(27-31-37)40-16-9-18-44-42-14-4-6-21-47(42)53-50(40)44/h3*1-31H.
What are the key properties of 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?
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 has a molecular weight of 2065.54 g/mol, XLogP of 44.72, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160723829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).