N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-7-amine

C43H30N2O — CID 166861643

IUPACN-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-7-amine
SMILESC1=Cc2c(oc3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)ccc23)CN1
InChIInChI=1S/C43H30N2O/c1-2-6-29(7-3-1)30-12-17-35(18-13-30)45(37-21-23-40-41-24-25-44-28-43(41)46-42(40)27-37)36-19-14-31(15-20-36)33-16-22-39-34(26-33)11-10-32-8-4-5-9-38(32)39/h1-27,44H,28H2
InChIKeyMCUSSYSQOZUSSE-UHFFFAOYSA-N
MW590.73 g/mol
LogP11.62
Rot. Bonds5

About N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-7-amine

N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-7-amine (PubChem CID 166861643) has the molecular formula C43H30N2O and a molecular weight of 590.73 g/mol. Its IUPAC name is N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-7-amine.

Molecular Properties

Compound NameN-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-7-amine
PubChem CID166861643
Molecular FormulaC43H30N2O
Molecular Weight590.73 g/mol
Exact Mass590.24
IUPAC NameN-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-7-amine
SMILESC1=Cc2c(oc3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)ccc23)CN1
InChIInChI=1S/C43H30N2O/c1-2-6-29(7-3-1)30-12-17-35(18-13-30)45(37-21-23-40-41-24-25-44-28-43(41)46-42(40)27-37)36-19-14-31(15-20-36)33-16-22-39-34(26-33)11-10-32-8-4-5-9-38(32)39/h1-27,44H,28H2
InChIKeyMCUSSYSQOZUSSE-UHFFFAOYSA-N
XLogP11.62
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.73
LogP ≤ 511.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-7-amine with MolForge

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-7-amine
CID 166860602
N-benzo[c]phenanthren-2-yl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-7-amine
CID 166860643
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-6-amine
CID 166861988
N,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline
CID 135299389
N,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 135299426
N-(4-chrysen-2-ylphenyl)-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 170137651
N-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 170140386
N-(4-benzo[g]phenanthren-3-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 167184000
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 170675871
N-dibenzofuran-3-yl-N-[3-(7-phenylphenanthren-2-yl)phenyl]dibenzofuran-3-amine
CID 138743078
N-(6-naphthalen-2-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176587573
N,N-bis(4-phenylphenyl)chrysen-2-amine
CID 164748030

Frequently Asked Questions

What is the IUPAC name of N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-7-amine?
The IUPAC name of N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-7-amine (CID 166861643) is N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-7-amine.
What is the SMILES notation for N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-7-amine?
The canonical SMILES for N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-7-amine is C1=Cc2c(oc3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)ccc23)CN1.
What is the InChIKey of N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-7-amine?
The InChIKey is MCUSSYSQOZUSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2O/c1-2-6-29(7-3-1)30-12-17-35(18-13-30)45(37-21-23-40-41-24-25-44-28-43(41)46-42(40)27-37)36-19-14-31(15-20-36)33-16-22-39-34(26-33)11-10-32-8-4-5-9-38(32)39/h1-27,44H,28H2.
What are the key properties of N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-7-amine?
N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-7-amine has a molecular weight of 590.73 g/mol, XLogP of 11.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-7-amine is sourced from PubChem (CID 166861643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).