1-N,6-N-di(dibenzofuran-1-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine

C54H36N2O2 — CID 146214369

IUPAC1-N,6-N-di(dibenzofuran-1-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine
SMILESCc1ccc(N(c2ccc3ccc4c(N(c5ccc(C)cc5)c5cccc6oc7ccccc7c56)ccc5ccc2c3c54)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C54H36N2O2/c1-33-17-25-37(26-18-33)55(45-11-7-15-49-53(45)41-9-3-5-13-47(41)57-49)43-31-23-35-22-30-40-44(32-24-36-21-29-39(43)51(35)52(36)40)56(38-27-19-34(2)20-28-38)46-12-8-16-50-54(46)42-10-4-6-14-48(42)58-50/h3-32H,1-2H3
InChIKeyXLTJLDWMLXDCQZ-UHFFFAOYSA-N
MW744.89 g/mol
LogP15.94
Rot. Bonds6

About 1-N,6-N-di(dibenzofuran-1-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine

1-N,6-N-di(dibenzofuran-1-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine (PubChem CID 146214369) has the molecular formula C54H36N2O2 and a molecular weight of 744.89 g/mol. Its IUPAC name is 1-N,6-N-di(dibenzofuran-1-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine.

Molecular Properties

Compound Name1-N,6-N-di(dibenzofuran-1-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine
PubChem CID146214369
Molecular FormulaC54H36N2O2
Molecular Weight744.89 g/mol
Exact Mass744.28
IUPAC Name1-N,6-N-di(dibenzofuran-1-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine
SMILESCc1ccc(N(c2ccc3ccc4c(N(c5ccc(C)cc5)c5cccc6oc7ccccc7c56)ccc5ccc2c3c54)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C54H36N2O2/c1-33-17-25-37(26-18-33)55(45-11-7-15-49-53(45)41-9-3-5-13-47(41)57-49)43-31-23-35-22-30-40-44(32-24-36-21-29-39(43)51(35)52(36)40)56(38-27-19-34(2)20-28-38)46-12-8-16-50-54(46)42-10-4-6-14-48(42)58-50/h3-32H,1-2H3
InChIKeyXLTJLDWMLXDCQZ-UHFFFAOYSA-N
XLogP15.94
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.89
LogP ≤ 515.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-N-dibenzofuran-4-yl-1-N-(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;ethane
CID 144918751
N-(3,5-dimethylphenyl)-N-pyren-1-yldibenzofuran-4-amine
CID 58461843
N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 139352752
N-dibenzofuran-1-yl-N-phenyl-18-oxahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-amine
CID 163615135
N-dibenzofuran-1-yl-N-phenanthren-4-yldibenzofuran-1-amine
CID 121325395
N-(2-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 155186765
N-[6-[4-(N-(2,4-diphenylphenyl)-4-methylanilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine;N-[6-[4-(4-methyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine
CID 161073690
1-N,6-N-di(dibenzofuran-2-yl)-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine
CID 58461990
N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069406
N-(4-chrysen-3-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 170137179
N-(2-phenanthren-1-ylphenyl)-N-[4-(4-phenanthren-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810507
N-dibenzofuran-1-yl-N-phenanthren-3-yldibenzofuran-1-amine
CID 121325451

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-di(dibenzofuran-1-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine?
The IUPAC name of 1-N,6-N-di(dibenzofuran-1-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine (CID 146214369) is 1-N,6-N-di(dibenzofuran-1-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine.
What is the SMILES notation for 1-N,6-N-di(dibenzofuran-1-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine?
The canonical SMILES for 1-N,6-N-di(dibenzofuran-1-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine is Cc1ccc(N(c2ccc3ccc4c(N(c5ccc(C)cc5)c5cccc6oc7ccccc7c56)ccc5ccc2c3c54)c2cccc3oc4ccccc4c23)cc1.
What is the InChIKey of 1-N,6-N-di(dibenzofuran-1-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine?
The InChIKey is XLTJLDWMLXDCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2O2/c1-33-17-25-37(26-18-33)55(45-11-7-15-49-53(45)41-9-3-5-13-47(41)57-49)43-31-23-35-22-30-40-44(32-24-36-21-29-39(43)51(35)52(36)40)56(38-27-19-34(2)20-28-38)46-12-8-16-50-54(46)42-10-4-6-14-48(42)58-50/h3-32H,1-2H3.
What are the key properties of 1-N,6-N-di(dibenzofuran-1-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine?
1-N,6-N-di(dibenzofuran-1-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine has a molecular weight of 744.89 g/mol, XLogP of 15.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-di(dibenzofuran-1-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine is sourced from PubChem (CID 146214369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).