N-dibenzofuran-4-yl-N-pyren-1-yldibenzofuran-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-pyren-1-yldibenzofuran-4-amine;N-naphthalen-1-yl-N-pyren-1-yldibenzofuran-4-amine;N-naphthalen-2-yl-N-pyren-1-yldibenzofuran-4-amine

C159H98N4O5 — CID 159006380

IUPACN-dibenzofuran-4-yl-N-pyren-1-yldibenzofuran-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-pyren-1-yldibenzofuran-4-amine;N-naphthalen-1-yl-N-pyren-1-yldibenzofuran-4-amine;N-naphthalen-2-yl-N-pyren-1-yldibenzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4ccc5cccc6ccc3c4c56)c3cccc4c3oc3ccccc34)cc21.c1cc2ccc3ccc(N(c4cccc5c4oc4ccccc45)c4cccc5c4oc4ccccc45)c4ccc(c1)c2c34.c1ccc2c(N(c3ccc4ccc5cccc6ccc3c4c56)c3cccc4c3oc3ccccc34)cccc2c1.c1ccc2cc(N(c3ccc4ccc5cccc6ccc3c4c56)c3cccc4c3oc3ccccc34)ccc2c1
InChIInChI=1S/C43H29NO.C40H23NO2.2C38H23NO/c1-43(2)35-14-5-3-11-30(35)31-23-21-29(25-36(31)43)44(38-15-8-13-33-32-12-4-6-16-39(32)45-42(33)38)37-24-20-28-18-17-26-9-7-10-27-19-22-34(37)41(28)40(26)27;1-3-16-35-27(10-1)29-12-6-14-33(39(29)42-35)41(34-15-7-13-30-28-11-2-4-17-36(28)43-40(30)34)32-23-21-26-19-18-24-8-5-9-25-20-22-31(32)38(26)37(24)25;1-2-12-28-24(8-1)9-6-15-32(28)39(34-16-7-14-30-29-13-3-4-17-35(29)40-38(30)34)33-23-21-27-19-18-25-10-5-11-26-20-22-31(33)37(27)36(25)26;1-2-8-28-23-29(20-17-24(28)7-1)39(34-13-6-12-31-30-11-3-4-14-35(30)40-38(31)34)33-22-19-27-16-15-25-9-5-10-26-18-21-32(33)37(27)36(25)26/h3-25H,1-2H3;1-23H;2*1-23H
InChIKeyJRYXMNFDOUWOGD-UHFFFAOYSA-N
MW2144.56 g/mol
LogP46.32
Rot. Bonds12

About N-dibenzofuran-4-yl-N-pyren-1-yldibenzofuran-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-pyren-1-yldibenzofuran-4-amine;N-naphthalen-1-yl-N-pyren-1-yldibenzofuran-4-amine;N-naphthalen-2-yl-N-pyren-1-yldibenzofuran-4-amine

N-dibenzofuran-4-yl-N-pyren-1-yldibenzofuran-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-pyren-1-yldibenzofuran-4-amine;N-naphthalen-1-yl-N-pyren-1-yldibenzofuran-4-amine;N-naphthalen-2-yl-N-pyren-1-yldibenzofuran-4-amine (PubChem CID 159006380) has the molecular formula C159H98N4O5 and a molecular weight of 2144.56 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-N-pyren-1-yldibenzofuran-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-pyren-1-yldibenzofuran-4-amine;N-naphthalen-1-yl-N-pyren-1-yldibenzofuran-4-amine;N-naphthalen-2-yl-N-pyren-1-yldibenzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzofuran-4-yl-N-pyren-1-yldibenzofuran-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-pyren-1-yldibenzofuran-4-amine;N-naphthalen-1-yl-N-pyren-1-yldibenzofuran-4-amine;N-naphthalen-2-yl-N-pyren-1-yldibenzofuran-4-amine
PubChem CID159006380
Molecular FormulaC159H98N4O5
Molecular Weight2144.56 g/mol
Exact Mass2142.75
IUPAC NameN-dibenzofuran-4-yl-N-pyren-1-yldibenzofuran-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-pyren-1-yldibenzofuran-4-amine;N-naphthalen-1-yl-N-pyren-1-yldibenzofuran-4-amine;N-naphthalen-2-yl-N-pyren-1-yldibenzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4ccc5cccc6ccc3c4c56)c3cccc4c3oc3ccccc34)cc21.c1cc2ccc3ccc(N(c4cccc5c4oc4ccccc45)c4cccc5c4oc4ccccc45)c4ccc(c1)c2c34.c1ccc2c(N(c3ccc4ccc5cccc6ccc3c4c56)c3cccc4c3oc3ccccc34)cccc2c1.c1ccc2cc(N(c3ccc4ccc5cccc6ccc3c4c56)c3cccc4c3oc3ccccc34)ccc2c1
InChIInChI=1S/C43H29NO.C40H23NO2.2C38H23NO/c1-43(2)35-14-5-3-11-30(35)31-23-21-29(25-36(31)43)44(38-15-8-13-33-32-12-4-6-16-39(32)45-42(33)38)37-24-20-28-18-17-26-9-7-10-27-19-22-34(37)41(28)40(26)27;1-3-16-35-27(10-1)29-12-6-14-33(39(29)42-35)41(34-15-7-13-30-28-11-2-4-17-36(28)43-40(30)34)32-23-21-26-19-18-24-8-5-9-25-20-22-31(32)38(26)37(24)25;1-2-12-28-24(8-1)9-6-15-32(28)39(34-16-7-14-30-29-13-3-4-17-35(29)40-38(30)34)33-23-21-27-19-18-25-10-5-11-26-20-22-31(33)37(27)36(25)26;1-2-8-28-23-29(20-17-24(28)7-1)39(34-13-6-12-31-30-11-3-4-14-35(30)40-38(31)34)33-22-19-27-16-15-25-9-5-10-26-18-21-32(33)37(27)36(25)26/h3-25H,1-2H3;1-23H;2*1-23H
InChIKeyJRYXMNFDOUWOGD-UHFFFAOYSA-N
XLogP46.32
TPSA78.66 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms168
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002144.56
LogP ≤ 546.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-dibenzofuran-4-yl-N-pyren-1-yldibenzofuran-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-pyren-1-yldibenzofuran-4-amine;N-naphthalen-1-yl-N-pyren-1-yldibenzofuran-4-amine;N-naphthalen-2-yl-N-pyren-1-yldibenzofuran-4-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-4-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine;N-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 159844294
2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(9,9-dimethylfluoren-2-yl)pyrene-2,7-diamine
CID 123226555
N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yldibenzofuran-4-amine
CID 118405712
1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-dinaphthalen-1-yl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-dinaphthalen-2-yl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine
CID 160771142
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzofuran-10-amine
CID 118405343
9-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-amine
CID 170675659
N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(9,9-dimethylfluoren-3-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-triphenylen-2-yldibenzofuran-4-amine
CID 160951573
N-(9,9-dimethylfluoren-2-yl)-N-tetraphenylen-2-yldibenzofuran-4-amine
CID 139298060
5-N,16-N-di(dibenzofuran-4-yl)-8,8,20-trimethyl-5-N-phenyl-16-N-(2-phenylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;5-N,16-N-di(dibenzofuran-4-yl)-8,8,20-trimethyl-16-N-phenyl-5-N-(2-phenylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;8,8,20-trimethyl-5-N,16-N-diphenyl-5-N,16-N-bis(6-phenyldibenzofuran-4-yl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine;8,8,20-trimethyl-16-N-naphthalen-1-yl-5-N-naphthalen-2-yl-5-N,16-N-bis(2-phenylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 158119022
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 154960896
N-dibenzofuran-4-yl-12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoreno[1,2-b][1]benzofuran-2-amine
CID 164764699
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]naphthalen-1-yl]-N-phenyldibenzofuran-4-amine
CID 71126683

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-N-pyren-1-yldibenzofuran-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-pyren-1-yldibenzofuran-4-amine;N-naphthalen-1-yl-N-pyren-1-yldibenzofuran-4-amine;N-naphthalen-2-yl-N-pyren-1-yldibenzofuran-4-amine?
The IUPAC name of N-dibenzofuran-4-yl-N-pyren-1-yldibenzofuran-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-pyren-1-yldibenzofuran-4-amine;N-naphthalen-1-yl-N-pyren-1-yldibenzofuran-4-amine;N-naphthalen-2-yl-N-pyren-1-yldibenzofuran-4-amine (CID 159006380) is N-dibenzofuran-4-yl-N-pyren-1-yldibenzofuran-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-pyren-1-yldibenzofuran-4-amine;N-naphthalen-1-yl-N-pyren-1-yldibenzofuran-4-amine;N-naphthalen-2-yl-N-pyren-1-yldibenzofuran-4-amine.
What is the SMILES notation for N-dibenzofuran-4-yl-N-pyren-1-yldibenzofuran-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-pyren-1-yldibenzofuran-4-amine;N-naphthalen-1-yl-N-pyren-1-yldibenzofuran-4-amine;N-naphthalen-2-yl-N-pyren-1-yldibenzofuran-4-amine?
The canonical SMILES for N-dibenzofuran-4-yl-N-pyren-1-yldibenzofuran-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-pyren-1-yldibenzofuran-4-amine;N-naphthalen-1-yl-N-pyren-1-yldibenzofuran-4-amine;N-naphthalen-2-yl-N-pyren-1-yldibenzofuran-4-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4ccc5cccc6ccc3c4c56)c3cccc4c3oc3ccccc34)cc21.c1cc2ccc3ccc(N(c4cccc5c4oc4ccccc45)c4cccc5c4oc4ccccc45)c4ccc(c1)c2c34.c1ccc2c(N(c3ccc4ccc5cccc6ccc3c4c56)c3cccc4c3oc3ccccc34)cccc2c1.c1ccc2cc(N(c3ccc4ccc5cccc6ccc3c4c56)c3cccc4c3oc3ccccc34)ccc2c1.
What is the InChIKey of N-dibenzofuran-4-yl-N-pyren-1-yldibenzofuran-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-pyren-1-yldibenzofuran-4-amine;N-naphthalen-1-yl-N-pyren-1-yldibenzofuran-4-amine;N-naphthalen-2-yl-N-pyren-1-yldibenzofuran-4-amine?
The InChIKey is JRYXMNFDOUWOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29NO.C40H23NO2.2C38H23NO/c1-43(2)35-14-5-3-11-30(35)31-23-21-29(25-36(31)43)44(38-15-8-13-33-32-12-4-6-16-39(32)45-42(33)38)37-24-20-28-18-17-26-9-7-10-27-19-22-34(37)41(28)40(26)27;1-3-16-35-27(10-1)29-12-6-14-33(39(29)42-35)41(34-15-7-13-30-28-11-2-4-17-36(28)43-40(30)34)32-23-21-26-19-18-24-8-5-9-25-20-22-31(32)38(26)37(24)25;1-2-12-28-24(8-1)9-6-15-32(28)39(34-16-7-14-30-29-13-3-4-17-35(29)40-38(30)34)33-23-21-27-19-18-25-10-5-11-26-20-22-31(33)37(27)36(25)26;1-2-8-28-23-29(20-17-24(28)7-1)39(34-13-6-12-31-30-11-3-4-14-35(30)40-38(31)34)33-22-19-27-16-15-25-9-5-10-26-18-21-32(33)37(27)36(25)26/h3-25H,1-2H3;1-23H;2*1-23H.
What are the key properties of N-dibenzofuran-4-yl-N-pyren-1-yldibenzofuran-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-pyren-1-yldibenzofuran-4-amine;N-naphthalen-1-yl-N-pyren-1-yldibenzofuran-4-amine;N-naphthalen-2-yl-N-pyren-1-yldibenzofuran-4-amine?
N-dibenzofuran-4-yl-N-pyren-1-yldibenzofuran-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-pyren-1-yldibenzofuran-4-amine;N-naphthalen-1-yl-N-pyren-1-yldibenzofuran-4-amine;N-naphthalen-2-yl-N-pyren-1-yldibenzofuran-4-amine has a molecular weight of 2144.56 g/mol, XLogP of 46.32, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-4-yl-N-pyren-1-yldibenzofuran-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-pyren-1-yldibenzofuran-4-amine;N-naphthalen-1-yl-N-pyren-1-yldibenzofuran-4-amine;N-naphthalen-2-yl-N-pyren-1-yldibenzofuran-4-amine is sourced from PubChem (CID 159006380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).