N-(4-dibenzofuran-3-ylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine

C44H27NO2 — CID 168810112

IUPACN-(4-dibenzofuran-3-ylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine
SMILESc1ccc2c(c1)ccc1ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccc4oc5ccccc5c4c3)cc12
InChIInChI=1S/C44H27NO2/c1-2-8-35-29(7-1)13-14-30-17-21-33(26-39(30)35)45(34-22-24-43-40(27-34)37-10-4-6-12-42(37)46-43)32-19-15-28(16-20-32)31-18-23-38-36-9-3-5-11-41(36)47-44(38)25-31/h1-27H
InChIKeyFRROLIBMQAYBKS-UHFFFAOYSA-N
MW601.71 g/mol
LogP12.93
Rot. Bonds4

About N-(4-dibenzofuran-3-ylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine

N-(4-dibenzofuran-3-ylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine (PubChem CID 168810112) has the molecular formula C44H27NO2 and a molecular weight of 601.71 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-3-ylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine
PubChem CID168810112
Molecular FormulaC44H27NO2
Molecular Weight601.71 g/mol
Exact Mass601.20
IUPAC NameN-(4-dibenzofuran-3-ylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine
SMILESc1ccc2c(c1)ccc1ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccc4oc5ccccc5c4c3)cc12
InChIInChI=1S/C44H27NO2/c1-2-8-35-29(7-1)13-14-30-17-21-33(26-39(30)35)45(34-22-24-43-40(27-34)37-10-4-6-12-42(37)46-43)32-19-15-28(16-20-32)31-18-23-38-36-9-3-5-11-41(36)47-44(38)25-31/h1-27H
InChIKeyFRROLIBMQAYBKS-UHFFFAOYSA-N
XLogP12.93
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.71
LogP ≤ 512.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-chrysen-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 170130661
N-(4-dibenzofuran-3-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 166565962
N-(4-chrysen-2-ylphenyl)-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 170137651
N-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 121325434
N-[4-[4-(4-dibenzofuran-3-yl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)naphthalen-2-amine
CID 122533769
8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-2-N,2-N-diphenyldibenzofuran-2,8-diamine
CID 146576029
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 170137599
N,N-bis(4-phenylphenyl)dibenzofuran-2-amine;N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157238587
N-chrysen-3-yl-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 170137135
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-yldibenzofuran-3-amine
CID 168809644
N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]-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 171607675
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 176616741

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine?
The IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine (CID 168810112) is N-(4-dibenzofuran-3-ylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine.
What is the SMILES notation for N-(4-dibenzofuran-3-ylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine?
The canonical SMILES for N-(4-dibenzofuran-3-ylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine is c1ccc2c(c1)ccc1ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccc4oc5ccccc5c4c3)cc12.
What is the InChIKey of N-(4-dibenzofuran-3-ylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine?
The InChIKey is FRROLIBMQAYBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27NO2/c1-2-8-35-29(7-1)13-14-30-17-21-33(26-39(30)35)45(34-22-24-43-40(27-34)37-10-4-6-12-42(37)46-43)32-19-15-28(16-20-32)31-18-23-38-36-9-3-5-11-41(36)47-44(38)25-31/h1-27H.
What are the key properties of N-(4-dibenzofuran-3-ylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine?
N-(4-dibenzofuran-3-ylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine has a molecular weight of 601.71 g/mol, XLogP of 12.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-3-ylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine is sourced from PubChem (CID 168810112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).