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

C41H28N2O — CID 166860643

IUPACN-benzo[c]phenanthren-2-yl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-7-amine
SMILESC1=Cc2c(oc3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5ccc6ccc7ccccc7c6c5c4)ccc23)CN1
InChIInChI=1S/C41H28N2O/c1-2-6-27(7-3-1)28-14-17-32(18-15-28)43(34-20-21-36-37-22-23-42-26-40(37)44-39(36)25-34)33-19-16-30-11-13-31-12-10-29-8-4-5-9-35(29)41(31)38(30)24-33/h1-25,42H,26H2
InChIKeyGMMUMTLSJRSIEX-UHFFFAOYSA-N
MW564.69 g/mol
LogP11.10
Rot. Bonds4

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

N-benzo[c]phenanthren-2-yl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-7-amine (PubChem CID 166860643) has the molecular formula C41H28N2O and a molecular weight of 564.69 g/mol. Its IUPAC name is N-benzo[c]phenanthren-2-yl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-7-amine.

Molecular Properties

Compound NameN-benzo[c]phenanthren-2-yl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-7-amine
PubChem CID166860643
Molecular FormulaC41H28N2O
Molecular Weight564.69 g/mol
Exact Mass564.22
IUPAC NameN-benzo[c]phenanthren-2-yl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-7-amine
SMILESC1=Cc2c(oc3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5ccc6ccc7ccccc7c6c5c4)ccc23)CN1
InChIInChI=1S/C41H28N2O/c1-2-6-27(7-3-1)28-14-17-32(18-15-28)43(34-20-21-36-37-22-23-42-26-40(37)44-39(36)25-34)33-19-16-30-11-13-31-12-10-29-8-4-5-9-35(29)41(31)38(30)24-33/h1-25,42H,26H2
InChIKeyGMMUMTLSJRSIEX-UHFFFAOYSA-N
XLogP11.10
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.69
LogP ≤ 511.10
H-Bond Donors ≤ 51
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-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-7-amine
CID 166861643
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-7-amine
CID 166860602
N-phenyl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-6-amine
CID 166861522
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-6-amine
CID 166861988
N-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[g]phenanthren-3-amine
CID 167181851
N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-8-amine
CID 166861320
N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzothiolo[2,3-c]pyridin-5-amine
CID 166862248
N-(4-benzo[g]phenanthren-3-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 167184000
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176616745
N-benzo[c]phenanthren-2-yl-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 167184399
3-N,7-N-dinaphthalen-2-yl-3-N,7-N-bis(4-phenylphenyl)dibenzofuran-3,7-diamine
CID 177117023
2-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-9-amine
CID 177130958

Frequently Asked Questions

What is the IUPAC name of N-benzo[c]phenanthren-2-yl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-7-amine?
The IUPAC name of N-benzo[c]phenanthren-2-yl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-7-amine (CID 166860643) is N-benzo[c]phenanthren-2-yl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-7-amine.
What is the SMILES notation for N-benzo[c]phenanthren-2-yl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-7-amine?
The canonical SMILES for N-benzo[c]phenanthren-2-yl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-7-amine is C1=Cc2c(oc3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5ccc6ccc7ccccc7c6c5c4)ccc23)CN1.
What is the InChIKey of N-benzo[c]phenanthren-2-yl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-7-amine?
The InChIKey is GMMUMTLSJRSIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N2O/c1-2-6-27(7-3-1)28-14-17-32(18-15-28)43(34-20-21-36-37-22-23-42-26-40(37)44-39(36)25-34)33-19-16-30-11-13-31-12-10-29-8-4-5-9-35(29)41(31)38(30)24-33/h1-25,42H,26H2.
What are the key properties of N-benzo[c]phenanthren-2-yl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-7-amine?
N-benzo[c]phenanthren-2-yl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-7-amine has a molecular weight of 564.69 g/mol, XLogP of 11.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[c]phenanthren-2-yl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-7-amine is sourced from PubChem (CID 166860643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).