1-N,5-N-di(dibenzofuran-2-yl)-1-N,5-N-diphenylchrysene-1,5-diamine

C54H34N2O2 — CID 170410722

IUPAC1-N,5-N-di(dibenzofuran-2-yl)-1-N,5-N-diphenylchrysene-1,5-diamine
SMILESc1ccc(N(c2ccc3oc4ccccc4c3c2)c2cccc3c2ccc2c4ccccc4cc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)c32)cc1
InChIInChI=1S/C54H34N2O2/c1-3-15-36(16-4-1)55(38-26-30-52-46(33-38)42-20-9-11-24-50(42)57-52)48-23-13-22-44-41(48)28-29-45-40-19-8-7-14-35(40)32-49(54(44)45)56(37-17-5-2-6-18-37)39-27-31-53-47(34-39)43-21-10-12-25-51(43)58-53/h1-34H
InChIKeyGOGPHFPKRFPGDJ-UHFFFAOYSA-N
MW742.88 g/mol
LogP15.88
Rot. Bonds6

About 1-N,5-N-di(dibenzofuran-2-yl)-1-N,5-N-diphenylchrysene-1,5-diamine

1-N,5-N-di(dibenzofuran-2-yl)-1-N,5-N-diphenylchrysene-1,5-diamine (PubChem CID 170410722) has the molecular formula C54H34N2O2 and a molecular weight of 742.88 g/mol. Its IUPAC name is 1-N,5-N-di(dibenzofuran-2-yl)-1-N,5-N-diphenylchrysene-1,5-diamine.

Molecular Properties

Compound Name1-N,5-N-di(dibenzofuran-2-yl)-1-N,5-N-diphenylchrysene-1,5-diamine
PubChem CID170410722
Molecular FormulaC54H34N2O2
Molecular Weight742.88 g/mol
Exact Mass742.26
IUPAC Name1-N,5-N-di(dibenzofuran-2-yl)-1-N,5-N-diphenylchrysene-1,5-diamine
SMILESc1ccc(N(c2ccc3oc4ccccc4c3c2)c2cccc3c2ccc2c4ccccc4cc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)c32)cc1
InChIInChI=1S/C54H34N2O2/c1-3-15-36(16-4-1)55(38-26-30-52-46(33-38)42-20-9-11-24-50(42)57-52)48-23-13-22-44-41(48)28-29-45-40-19-8-7-14-35(40)32-49(54(44)45)56(37-17-5-2-6-18-37)39-27-31-53-47(34-39)43-21-10-12-25-51(43)58-53/h1-34H
InChIKeyGOGPHFPKRFPGDJ-UHFFFAOYSA-N
XLogP15.88
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.88
LogP ≤ 515.88
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

1-N-dibenzofuran-2-yl-1-N,5-N-diphenyl-5-N-(4-phenylphenyl)naphthalene-1,5-diamine
CID 166917710
N-phenanthren-9-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-2-amine
CID 89295821
10-N-dibenzofuran-2-yl-10-N-(4-fluorophenyl)-3-N,3-N-diphenylphenanthrene-3,10-diamine
CID 170284135
3-N-dibenzofuran-4-yl-10-N,10-N-diphenyl-3-N-(4-phenylphenyl)phenanthrene-3,10-diamine
CID 170283931
N-[4-[4-[dibenzofuran-2-yl(phenanthren-9-yl)amino]phenyl]phenyl]-N-phenanthren-9-yldibenzofuran-2-amine;1-N,3-N-di(dibenzofuran-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,4-N-di(dibenzofuran-3-yl)-1-N,4-N-diphenylbenzene-1,4-diamine;1-N,4-N-di(dibenzofuran-4-yl)-1-N,4-N-diphenylbenzene-1,4-diamine;N-phenanthren-9-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-2-amine
CID 157328042
3-N-dibenzofuran-2-yl-10-N-naphthalen-1-yl-10-N-(4-naphthalen-1-ylphenyl)-3-N-phenylphenanthrene-3,10-diamine
CID 170283773
1-N,10-N-di(dibenzofuran-3-yl)-1-N,10-N-diphenylchrysene-1,10-diamine
CID 170410635
N-(7-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 177100194
N-dibenzofuran-1-yl-N-phenanthren-9-yldibenzofuran-2-amine
CID 155305684
N-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-4-amine
CID 176616692
N-chrysen-5-yl-N-(4-phenylphenyl)naphtho[7,6-b][1]benzofuran-7-amine
CID 170140601
N-phenanthren-9-yl-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 89295825

Frequently Asked Questions

What is the IUPAC name of 1-N,5-N-di(dibenzofuran-2-yl)-1-N,5-N-diphenylchrysene-1,5-diamine?
The IUPAC name of 1-N,5-N-di(dibenzofuran-2-yl)-1-N,5-N-diphenylchrysene-1,5-diamine (CID 170410722) is 1-N,5-N-di(dibenzofuran-2-yl)-1-N,5-N-diphenylchrysene-1,5-diamine.
What is the SMILES notation for 1-N,5-N-di(dibenzofuran-2-yl)-1-N,5-N-diphenylchrysene-1,5-diamine?
The canonical SMILES for 1-N,5-N-di(dibenzofuran-2-yl)-1-N,5-N-diphenylchrysene-1,5-diamine is c1ccc(N(c2ccc3oc4ccccc4c3c2)c2cccc3c2ccc2c4ccccc4cc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)c32)cc1.
What is the InChIKey of 1-N,5-N-di(dibenzofuran-2-yl)-1-N,5-N-diphenylchrysene-1,5-diamine?
The InChIKey is GOGPHFPKRFPGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O2/c1-3-15-36(16-4-1)55(38-26-30-52-46(33-38)42-20-9-11-24-50(42)57-52)48-23-13-22-44-41(48)28-29-45-40-19-8-7-14-35(40)32-49(54(44)45)56(37-17-5-2-6-18-37)39-27-31-53-47(34-39)43-21-10-12-25-51(43)58-53/h1-34H.
What are the key properties of 1-N,5-N-di(dibenzofuran-2-yl)-1-N,5-N-diphenylchrysene-1,5-diamine?
1-N,5-N-di(dibenzofuran-2-yl)-1-N,5-N-diphenylchrysene-1,5-diamine has a molecular weight of 742.88 g/mol, XLogP of 15.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,5-N-di(dibenzofuran-2-yl)-1-N,5-N-diphenylchrysene-1,5-diamine is sourced from PubChem (CID 170410722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).