N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine

C156H99N3O2S — CID 163685896

IUPACN-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine
SMILESc1ccc2c(c1)cc(-c1ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cc4ccccc4c4ccccc34)cc1)c1ccccc12.c1ccc2c(c1)cc(-c1ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3cc4ccccc4c4ccccc34)cc1)c1ccccc12.c1ccc2c(c1)cc(-c1ccc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3cc4ccccc4c4ccccc34)cc1)c1ccccc12
InChIInChI=1S/2C52H33NO.C52H33NS/c1-3-14-40-36(12-1)32-49(45-18-6-5-16-43(40)45)35-26-30-39(31-27-35)53(50-33-37-13-2-4-15-41(37)44-17-7-8-19-46(44)50)38-28-24-34(25-29-38)42-21-11-22-48-47-20-9-10-23-51(47)54-52(42)48;1-3-14-40-36(12-1)32-48(45-18-6-5-16-43(40)45)35-26-30-39(31-27-35)53(49-33-37-13-2-4-15-41(37)44-17-7-8-19-46(44)49)38-28-24-34(25-29-38)42-21-11-23-51-52(42)47-20-9-10-22-50(47)54-51;1-3-14-40-36(12-1)32-49(45-18-6-5-16-43(40)45)35-26-30-39(31-27-35)53(50-33-37-13-2-4-15-41(37)44-17-7-8-19-46(44)50)38-28-24-34(25-29-38)42-21-11-22-48-47-20-9-10-23-51(47)54-52(42)48/h3*1-33H
InChIKeyJOVYQCOGBBDZRA-UHFFFAOYSA-N
MW2079.59 g/mol
LogP45.48
Rot. Bonds15

About N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine

N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine (PubChem CID 163685896) has the molecular formula C156H99N3O2S and a molecular weight of 2079.59 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine
PubChem CID163685896
Molecular FormulaC156H99N3O2S
Molecular Weight2079.59 g/mol
Exact Mass2077.75
IUPAC NameN-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine
SMILESc1ccc2c(c1)cc(-c1ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cc4ccccc4c4ccccc34)cc1)c1ccccc12.c1ccc2c(c1)cc(-c1ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3cc4ccccc4c4ccccc34)cc1)c1ccccc12.c1ccc2c(c1)cc(-c1ccc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3cc4ccccc4c4ccccc34)cc1)c1ccccc12
InChIInChI=1S/2C52H33NO.C52H33NS/c1-3-14-40-36(12-1)32-49(45-18-6-5-16-43(40)45)35-26-30-39(31-27-35)53(50-33-37-13-2-4-15-41(37)44-17-7-8-19-46(44)50)38-28-24-34(25-29-38)42-21-11-22-48-47-20-9-10-23-51(47)54-52(42)48;1-3-14-40-36(12-1)32-48(45-18-6-5-16-43(40)45)35-26-30-39(31-27-35)53(49-33-37-13-2-4-15-41(37)44-17-7-8-19-46(44)49)38-28-24-34(25-29-38)42-21-11-23-51-52(42)47-20-9-10-22-50(47)54-51;1-3-14-40-36(12-1)32-49(45-18-6-5-16-43(40)45)35-26-30-39(31-27-35)53(50-33-37-13-2-4-15-41(37)44-17-7-8-19-46(44)50)38-28-24-34(25-29-38)42-21-11-22-48-47-20-9-10-23-51(47)54-52(42)48/h3*1-33H
InChIKeyJOVYQCOGBBDZRA-UHFFFAOYSA-N
XLogP45.48
TPSA36.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms162
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002079.59
LogP ≤ 545.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-dibenzofuran-1-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline;4-dibenzofuran-4-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline;4-dibenzothiophen-4-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline
CID 163459779
N-(4-carbazol-9-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-dibenzofuran-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)phenanthren-9-amine
CID 163557308
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine
CID 155624044
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)dibenzothiophen-4-amine
CID 164955400
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501986
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)-2-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 167325168
N-(4-dibenzothiophen-4-ylphenyl)-N-phenanthren-3-ylnaphtho[2,1-b][1]benzofuran-6-amine
CID 168809658
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
4-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 118406191
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
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-9-amine
CID 155119875

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine?
The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine (CID 163685896) is N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine.
What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine?
The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine is c1ccc2c(c1)cc(-c1ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cc4ccccc4c4ccccc34)cc1)c1ccccc12.c1ccc2c(c1)cc(-c1ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3cc4ccccc4c4ccccc34)cc1)c1ccccc12.c1ccc2c(c1)cc(-c1ccc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3cc4ccccc4c4ccccc34)cc1)c1ccccc12.
What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine?
The InChIKey is JOVYQCOGBBDZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H33NO.C52H33NS/c1-3-14-40-36(12-1)32-49(45-18-6-5-16-43(40)45)35-26-30-39(31-27-35)53(50-33-37-13-2-4-15-41(37)44-17-7-8-19-46(44)50)38-28-24-34(25-29-38)42-21-11-22-48-47-20-9-10-23-51(47)54-52(42)48;1-3-14-40-36(12-1)32-48(45-18-6-5-16-43(40)45)35-26-30-39(31-27-35)53(49-33-37-13-2-4-15-41(37)44-17-7-8-19-46(44)49)38-28-24-34(25-29-38)42-21-11-23-51-52(42)47-20-9-10-22-50(47)54-51;1-3-14-40-36(12-1)32-49(45-18-6-5-16-43(40)45)35-26-30-39(31-27-35)53(50-33-37-13-2-4-15-41(37)44-17-7-8-19-46(44)50)38-28-24-34(25-29-38)42-21-11-22-48-47-20-9-10-23-51(47)54-52(42)48/h3*1-33H.
What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine?
N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine has a molecular weight of 2079.59 g/mol, XLogP of 45.48, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine is sourced from PubChem (CID 163685896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).