1-N,10-N-di(dibenzofuran-3-yl)-1-N,10-N-diphenylchrysene-1,10-diamine

C54H34N2O2 — CID 170410635

IUPAC1-N,10-N-di(dibenzofuran-3-yl)-1-N,10-N-diphenylchrysene-1,10-diamine
SMILESc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2cccc3c2ccc2c3ccc3cccc(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)c32)cc1
InChIInChI=1S/C54H34N2O2/c1-3-14-36(15-4-1)55(38-26-29-45-43-18-7-9-23-50(43)57-52(45)33-38)48-21-12-20-40-41-28-25-35-13-11-22-49(54(35)47(41)32-31-42(40)48)56(37-16-5-2-6-17-37)39-27-30-46-44-19-8-10-24-51(44)58-53(46)34-39/h1-34H
InChIKeyVSFNCCWIFOAVQI-UHFFFAOYSA-N
MW742.88 g/mol
LogP15.88
Rot. Bonds6

About 1-N,10-N-di(dibenzofuran-3-yl)-1-N,10-N-diphenylchrysene-1,10-diamine

1-N,10-N-di(dibenzofuran-3-yl)-1-N,10-N-diphenylchrysene-1,10-diamine (PubChem CID 170410635) has the molecular formula C54H34N2O2 and a molecular weight of 742.88 g/mol. Its IUPAC name is 1-N,10-N-di(dibenzofuran-3-yl)-1-N,10-N-diphenylchrysene-1,10-diamine.

Molecular Properties

Compound Name1-N,10-N-di(dibenzofuran-3-yl)-1-N,10-N-diphenylchrysene-1,10-diamine
PubChem CID170410635
Molecular FormulaC54H34N2O2
Molecular Weight742.88 g/mol
Exact Mass742.26
IUPAC Name1-N,10-N-di(dibenzofuran-3-yl)-1-N,10-N-diphenylchrysene-1,10-diamine
SMILESc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2cccc3c2ccc2c3ccc3cccc(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)c32)cc1
InChIInChI=1S/C54H34N2O2/c1-3-14-36(15-4-1)55(38-26-29-45-43-18-7-9-23-50(43)57-52(45)33-38)48-21-12-20-40-41-28-25-35-13-11-22-49(54(35)47(41)32-31-42(40)48)56(37-16-5-2-6-17-37)39-27-30-46-44-19-8-10-24-51(44)58-53(46)34-39/h1-34H
InChIKeyVSFNCCWIFOAVQI-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

N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-3-amine
CID 170130998
1-N-dibenzofuran-3-yl-1-N,7-N,7-N-triphenyldibenzofuran-1,7-diamine
CID 146573998
N-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-N-phenyldibenzofuran-3-amine
CID 167087562
1-N,10-N-diphenyl-1-N,10-N-bis(3-phenylphenyl)chrysene-1,10-diamine
CID 170410737
8-N,22-N-di(dibenzofuran-1-yl)-8-N,22-N-diphenyl-11,15,19-trioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20(25),21,23,26-dodecaene-8,22-diamine
CID 170235172
N-phenanthren-9-yl-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 89295825
1-N,5-N-di(dibenzofuran-2-yl)-1-N,5-N-diphenylchrysene-1,5-diamine
CID 170410722
N-dibenzofuran-3-yl-N-phenanthren-1-yl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 170779480
8-N,22-N-di(dibenzofuran-3-yl)-8-N,22-N-dinaphthalen-1-yl-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
CID 165046375
N-(18-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15(20),16,18,21-undecaenyl)-N-phenyldibenzofuran-3-amine
CID 167087784
N-naphthalen-1-yl-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 170272670
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

Frequently Asked Questions

What is the IUPAC name of 1-N,10-N-di(dibenzofuran-3-yl)-1-N,10-N-diphenylchrysene-1,10-diamine?
The IUPAC name of 1-N,10-N-di(dibenzofuran-3-yl)-1-N,10-N-diphenylchrysene-1,10-diamine (CID 170410635) is 1-N,10-N-di(dibenzofuran-3-yl)-1-N,10-N-diphenylchrysene-1,10-diamine.
What is the SMILES notation for 1-N,10-N-di(dibenzofuran-3-yl)-1-N,10-N-diphenylchrysene-1,10-diamine?
The canonical SMILES for 1-N,10-N-di(dibenzofuran-3-yl)-1-N,10-N-diphenylchrysene-1,10-diamine is c1ccc(N(c2ccc3c(c2)oc2ccccc23)c2cccc3c2ccc2c3ccc3cccc(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)c32)cc1.
What is the InChIKey of 1-N,10-N-di(dibenzofuran-3-yl)-1-N,10-N-diphenylchrysene-1,10-diamine?
The InChIKey is VSFNCCWIFOAVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O2/c1-3-14-36(15-4-1)55(38-26-29-45-43-18-7-9-23-50(43)57-52(45)33-38)48-21-12-20-40-41-28-25-35-13-11-22-49(54(35)47(41)32-31-42(40)48)56(37-16-5-2-6-17-37)39-27-30-46-44-19-8-10-24-51(44)58-53(46)34-39/h1-34H.
What are the key properties of 1-N,10-N-di(dibenzofuran-3-yl)-1-N,10-N-diphenylchrysene-1,10-diamine?
1-N,10-N-di(dibenzofuran-3-yl)-1-N,10-N-diphenylchrysene-1,10-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,10-N-di(dibenzofuran-3-yl)-1-N,10-N-diphenylchrysene-1,10-diamine is sourced from PubChem (CID 170410635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).