N-dibenzofuran-2-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-10-amine

C42H25NO2 — CID 168804116

IUPACN-dibenzofuran-2-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-10-amine
SMILESc1ccc2c(c1)cc(N(c1ccc3oc4ccccc4c3c1)c1cccc3c1oc1c4ccccc4ccc31)c1ccccc12
InChIInChI=1S/C42H25NO2/c1-4-13-30-26(10-1)20-22-35-34-17-9-18-37(42(34)45-41(30)35)43(28-21-23-40-36(25-28)33-16-7-8-19-39(33)44-40)38-24-27-11-2-3-12-29(27)31-14-5-6-15-32(31)38/h1-25H
InChIKeyWIENTWVOJLIYKY-UHFFFAOYSA-N
MW575.67 g/mol
LogP12.41
Rot. Bonds3

About N-dibenzofuran-2-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-10-amine

N-dibenzofuran-2-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-10-amine (PubChem CID 168804116) has the molecular formula C42H25NO2 and a molecular weight of 575.67 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-10-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-10-amine
PubChem CID168804116
Molecular FormulaC42H25NO2
Molecular Weight575.67 g/mol
Exact Mass575.19
IUPAC NameN-dibenzofuran-2-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-10-amine
SMILESc1ccc2c(c1)cc(N(c1ccc3oc4ccccc4c3c1)c1cccc3c1oc1c4ccccc4ccc31)c1ccccc12
InChIInChI=1S/C42H25NO2/c1-4-13-30-26(10-1)20-22-35-34-17-9-18-37(42(34)45-41(30)35)43(28-21-23-40-36(25-28)33-16-7-8-19-39(33)44-40)38-24-27-11-2-3-12-29(27)31-14-5-6-15-32(31)38/h1-25H
InChIKeyWIENTWVOJLIYKY-UHFFFAOYSA-N
XLogP12.41
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.67
LogP ≤ 512.41
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,N-di(dibenzofuran-2-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804115
N-dibenzofuran-1-yl-N-phenanthren-9-yldibenzofuran-2-amine
CID 155305684
N-phenanthren-3-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-2-amine
CID 167277186
N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-4-amine
CID 170130871
N-chrysen-1-yl-N-phenylnaphtho[1,2-b][1]benzofuran-8-amine
CID 170140586
N-naphthalen-2-yl-N-phenanthren-9-yldibenzofuran-2-amine
CID 118405743
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
N-dibenzofuran-3-yl-N-(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804139
N,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-2-amine
CID 167277467
N-chrysen-6-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 170140332
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-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 168804037

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-10-amine?
The IUPAC name of N-dibenzofuran-2-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-10-amine (CID 168804116) is N-dibenzofuran-2-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-10-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-10-amine?
The canonical SMILES for N-dibenzofuran-2-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-10-amine is c1ccc2c(c1)cc(N(c1ccc3oc4ccccc4c3c1)c1cccc3c1oc1c4ccccc4ccc31)c1ccccc12.
What is the InChIKey of N-dibenzofuran-2-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-10-amine?
The InChIKey is WIENTWVOJLIYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25NO2/c1-4-13-30-26(10-1)20-22-35-34-17-9-18-37(42(34)45-41(30)35)43(28-21-23-40-36(25-28)33-16-7-8-19-39(33)44-40)38-24-27-11-2-3-12-29(27)31-14-5-6-15-32(31)38/h1-25H.
What are the key properties of N-dibenzofuran-2-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-10-amine?
N-dibenzofuran-2-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-10-amine has a molecular weight of 575.67 g/mol, XLogP of 12.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-10-amine is sourced from PubChem (CID 168804116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).