N-chrysen-1-yl-N-(3,4-diphenylphenyl)dibenzofuran-2-amine

C48H31NO — CID 170138112

IUPACN-chrysen-1-yl-N-(3,4-diphenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3cccc4c3ccc3c5ccccc5ccc43)cc2-c2ccccc2)cc1
InChIInChI=1S/C48H31NO/c1-3-12-32(13-4-1)38-26-23-35(30-44(38)33-14-5-2-6-15-33)49(36-24-29-48-45(31-36)43-18-9-10-21-47(43)50-48)46-20-11-19-39-41-25-22-34-16-7-8-17-37(34)40(41)27-28-42(39)46/h1-31H
InChIKeyHEUJFEUFMUGNMU-UHFFFAOYSA-N
MW637.78 g/mol
LogP13.85
Rot. Bonds5

About N-chrysen-1-yl-N-(3,4-diphenylphenyl)dibenzofuran-2-amine

N-chrysen-1-yl-N-(3,4-diphenylphenyl)dibenzofuran-2-amine (PubChem CID 170138112) has the molecular formula C48H31NO and a molecular weight of 637.78 g/mol. Its IUPAC name is N-chrysen-1-yl-N-(3,4-diphenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-chrysen-1-yl-N-(3,4-diphenylphenyl)dibenzofuran-2-amine
PubChem CID170138112
Molecular FormulaC48H31NO
Molecular Weight637.78 g/mol
Exact Mass637.24
IUPAC NameN-chrysen-1-yl-N-(3,4-diphenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3cccc4c3ccc3c5ccccc5ccc43)cc2-c2ccccc2)cc1
InChIInChI=1S/C48H31NO/c1-3-12-32(13-4-1)38-26-23-35(30-44(38)33-14-5-2-6-15-33)49(36-24-29-48-45(31-36)43-18-9-10-21-47(43)50-48)46-20-11-19-39-41-25-22-34-16-7-8-17-37(34)40(41)27-28-42(39)46/h1-31H
InChIKeyHEUJFEUFMUGNMU-UHFFFAOYSA-N
XLogP13.85
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.78
LogP ≤ 513.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-dibenzofuran-2-yl-N-(3,4-diphenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine
CID 170032999
N-(3,4-diphenylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine
CID 177081030
N-phenanthren-1-yl-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]dibenzofuran-2-amine
CID 176820979
N-chrysen-1-yl-N-dibenzofuran-2-yldibenzofuran-2-amine;N-chrysen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine;N-chrysen-3-yl-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 165048813
N-(3,4-diphenylphenyl)-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine
CID 176821447
N-(9,10-diphenylphenanthren-2-yl)-N-naphthalen-1-yldibenzofuran-2-amine
CID 169064041
N-naphthalen-1-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172503063
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
N-(3,4-diphenylphenyl)-N-naphtho[2,1-b][1]benzothiol-4-yldibenzofuran-2-amine
CID 170040658
N-(2-naphthalen-1-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-2-yl-3-phenyl-N-(4-phenylphenyl)aniline
CID 170136482
N-chrysen-6-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 170137080
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 N-chrysen-1-yl-N-(3,4-diphenylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-chrysen-1-yl-N-(3,4-diphenylphenyl)dibenzofuran-2-amine (CID 170138112) is N-chrysen-1-yl-N-(3,4-diphenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-chrysen-1-yl-N-(3,4-diphenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-chrysen-1-yl-N-(3,4-diphenylphenyl)dibenzofuran-2-amine is c1ccc(-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3cccc4c3ccc3c5ccccc5ccc43)cc2-c2ccccc2)cc1.
What is the InChIKey of N-chrysen-1-yl-N-(3,4-diphenylphenyl)dibenzofuran-2-amine?
The InChIKey is HEUJFEUFMUGNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NO/c1-3-12-32(13-4-1)38-26-23-35(30-44(38)33-14-5-2-6-15-33)49(36-24-29-48-45(31-36)43-18-9-10-21-47(43)50-48)46-20-11-19-39-41-25-22-34-16-7-8-17-37(34)40(41)27-28-42(39)46/h1-31H.
What are the key properties of N-chrysen-1-yl-N-(3,4-diphenylphenyl)dibenzofuran-2-amine?
N-chrysen-1-yl-N-(3,4-diphenylphenyl)dibenzofuran-2-amine has a molecular weight of 637.78 g/mol, XLogP of 13.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chrysen-1-yl-N-(3,4-diphenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 170138112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).