N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-4-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-4-amine

C180H116N4O2S2 — CID 163647751

IUPACN-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-4-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-4-amine
SMILESc1ccc(-c2cccc3c2sc2c(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cc5ccccc5c5ccccc45)cccc23)cc1.c1ccc(-c2cccc3c2sc2c(N(c4ccc(-c5cccc6ccccc56)cc4)c4cc5ccccc5c5ccccc45)cccc23)cc1.c1ccc2c(-c3ccc(N(c4cc5ccccc5c5ccccc45)c4cccc5c4oc4ccccc45)cc3)cccc2c1.c1ccc2cc(-c3ccc(N(c4cc5ccccc5c5ccccc45)c4cccc5c4oc4ccccc45)cc3)ccc2c1
InChIInChI=1S/2C48H31NS.2C42H27NO/c1-2-13-33(14-3-1)40-23-11-24-43-44-25-12-26-45(48(44)50-47(40)43)49(46-31-35-16-5-7-19-39(35)41-20-8-9-21-42(41)46)36-29-27-34(28-30-36)38-22-10-17-32-15-4-6-18-37(32)38;1-2-13-34(14-3-1)40-20-10-21-43-44-22-11-23-45(48(44)50-47(40)43)49(46-31-37-16-6-7-17-39(37)41-18-8-9-19-42(41)46)38-28-26-33(27-29-38)36-25-24-32-12-4-5-15-35(32)30-36;1-3-14-32-28(11-1)13-9-19-33(32)29-23-25-31(26-24-29)43(39-21-10-20-38-37-18-7-8-22-41(37)44-42(38)39)40-27-30-12-2-4-15-34(30)35-16-5-6-17-36(35)40;1-2-11-30-26-31(21-20-28(30)10-1)29-22-24-33(25-23-29)43(39-18-9-17-38-37-16-7-8-19-41(37)44-42(38)39)40-27-32-12-3-4-13-34(32)35-14-5-6-15-36(35)40/h2*1-31H;2*1-27H
InChIKeyIJRPPIXVQZWWEJ-UHFFFAOYSA-N
MW2431.07 g/mol
LogP53.00
Rot. Bonds18

About N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-4-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-4-amine

N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-4-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-4-amine (PubChem CID 163647751) has the molecular formula C180H116N4O2S2 and a molecular weight of 2431.07 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-4-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-4-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-4-amine
PubChem CID163647751
Molecular FormulaC180H116N4O2S2
Molecular Weight2431.07 g/mol
Exact Mass2428.85
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-4-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-4-amine
SMILESc1ccc(-c2cccc3c2sc2c(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cc5ccccc5c5ccccc45)cccc23)cc1.c1ccc(-c2cccc3c2sc2c(N(c4ccc(-c5cccc6ccccc56)cc4)c4cc5ccccc5c5ccccc45)cccc23)cc1.c1ccc2c(-c3ccc(N(c4cc5ccccc5c5ccccc45)c4cccc5c4oc4ccccc45)cc3)cccc2c1.c1ccc2cc(-c3ccc(N(c4cc5ccccc5c5ccccc45)c4cccc5c4oc4ccccc45)cc3)ccc2c1
InChIInChI=1S/2C48H31NS.2C42H27NO/c1-2-13-33(14-3-1)40-23-11-24-43-44-25-12-26-45(48(44)50-47(40)43)49(46-31-35-16-5-7-19-39(35)41-20-8-9-21-42(41)46)36-29-27-34(28-30-36)38-22-10-17-32-15-4-6-18-37(32)38;1-2-13-34(14-3-1)40-20-10-21-43-44-22-11-23-45(48(44)50-47(40)43)49(46-31-37-16-6-7-17-39(37)41-18-8-9-19-42(41)46)38-28-26-33(27-29-38)36-25-24-32-12-4-5-15-35(32)30-36;1-3-14-32-28(11-1)13-9-19-33(32)29-23-25-31(26-24-29)43(39-21-10-20-38-37-18-7-8-22-41(37)44-42(38)39)40-27-30-12-2-4-15-34(30)35-16-5-6-17-36(35)40;1-2-11-30-26-31(21-20-28(30)10-1)29-22-24-33(25-23-29)43(39-18-9-17-38-37-16-7-8-19-41(37)44-42(38)39)40-27-32-12-3-4-13-34(32)35-14-5-6-15-36(35)40/h2*1-31H;2*1-27H
InChIKeyIJRPPIXVQZWWEJ-UHFFFAOYSA-N
XLogP53.00
TPSA39.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms188
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002431.07
LogP ≤ 553.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-4-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-4-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-4-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-4-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-4-amine (CID 163647751) is N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-4-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-4-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-4-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-4-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-4-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-4-amine is c1ccc(-c2cccc3c2sc2c(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cc5ccccc5c5ccccc45)cccc23)cc1.c1ccc(-c2cccc3c2sc2c(N(c4ccc(-c5cccc6ccccc56)cc4)c4cc5ccccc5c5ccccc45)cccc23)cc1.c1ccc2c(-c3ccc(N(c4cc5ccccc5c5ccccc45)c4cccc5c4oc4ccccc45)cc3)cccc2c1.c1ccc2cc(-c3ccc(N(c4cc5ccccc5c5ccccc45)c4cccc5c4oc4ccccc45)cc3)ccc2c1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-4-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-4-amine?
The InChIKey is IJRPPIXVQZWWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C48H31NS.2C42H27NO/c1-2-13-33(14-3-1)40-23-11-24-43-44-25-12-26-45(48(44)50-47(40)43)49(46-31-35-16-5-7-19-39(35)41-20-8-9-21-42(41)46)36-29-27-34(28-30-36)38-22-10-17-32-15-4-6-18-37(32)38;1-2-13-34(14-3-1)40-20-10-21-43-44-22-11-23-45(48(44)50-47(40)43)49(46-31-37-16-6-7-17-39(37)41-18-8-9-19-42(41)46)38-28-26-33(27-29-38)36-25-24-32-12-4-5-15-35(32)30-36;1-3-14-32-28(11-1)13-9-19-33(32)29-23-25-31(26-24-29)43(39-21-10-20-38-37-18-7-8-22-41(37)44-42(38)39)40-27-30-12-2-4-15-34(30)35-16-5-6-17-36(35)40;1-2-11-30-26-31(21-20-28(30)10-1)29-22-24-33(25-23-29)43(39-18-9-17-38-37-16-7-8-19-41(37)44-42(38)39)40-27-32-12-3-4-13-34(32)35-14-5-6-15-36(35)40/h2*1-31H;2*1-27H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-4-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-4-amine?
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-4-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-4-amine has a molecular weight of 2431.07 g/mol, XLogP of 53.00, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-4-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-4-amine is sourced from PubChem (CID 163647751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).