N-[4-[11-[(2E,4Z)-5-aminopenta-2,4-dien-2-yl]naphtho[2,1-b][1]benzofuran-6-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine

C51H36N2O2 — CID 156549119

IUPACN-[4-[11-[(2E,4Z)-5-aminopenta-2,4-dien-2-yl]naphtho[2,1-b][1]benzofuran-6-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESC/C(=C\C=C/N)c1cccc2oc3c(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)oc5ccccc56)cc4)cc4ccccc4c3c12
InChIInChI=1S/C51H36N2O2/c1-33(11-10-30-52)41-17-9-19-47-49(41)50-42-15-6-5-14-37(42)31-45(51(50)55-47)36-22-26-39(27-23-36)53(38-24-20-35(21-25-38)34-12-3-2-4-13-34)40-28-29-44-43-16-7-8-18-46(43)54-48(44)32-40/h2-32H,52H2,1H3/b30-10-,33-11+
InChIKeyIEGKZBILPOGXAS-MMUYVEJWSA-N
MW708.86 g/mol
LogP14.32
Rot. Bonds7

About N-[4-[11-[(2E,4Z)-5-aminopenta-2,4-dien-2-yl]naphtho[2,1-b][1]benzofuran-6-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine

N-[4-[11-[(2E,4Z)-5-aminopenta-2,4-dien-2-yl]naphtho[2,1-b][1]benzofuran-6-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine (PubChem CID 156549119) has the molecular formula C51H36N2O2 and a molecular weight of 708.86 g/mol. Its IUPAC name is N-[4-[11-[(2E,4Z)-5-aminopenta-2,4-dien-2-yl]naphtho[2,1-b][1]benzofuran-6-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[4-[11-[(2E,4Z)-5-aminopenta-2,4-dien-2-yl]naphtho[2,1-b][1]benzofuran-6-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
PubChem CID156549119
Molecular FormulaC51H36N2O2
Molecular Weight708.86 g/mol
Exact Mass708.28
IUPAC NameN-[4-[11-[(2E,4Z)-5-aminopenta-2,4-dien-2-yl]naphtho[2,1-b][1]benzofuran-6-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESC/C(=C\C=C/N)c1cccc2oc3c(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)oc5ccccc56)cc4)cc4ccccc4c3c12
InChIInChI=1S/C51H36N2O2/c1-33(11-10-30-52)41-17-9-19-47-49(41)50-42-15-6-5-14-37(42)31-45(51(50)55-47)36-22-26-39(27-23-36)53(38-24-20-35(21-25-38)34-12-3-2-4-13-34)40-28-29-44-43-16-7-8-18-46(43)54-48(44)32-40/h2-32H,52H2,1H3/b30-10-,33-11+
InChIKeyIEGKZBILPOGXAS-MMUYVEJWSA-N
XLogP14.32
TPSA55.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.86
LogP ≤ 514.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[11-[(2E,4Z)-5-aminopenta-2,4-dien-2-yl]naphtho[2,1-b][1]benzofuran-6-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine with MolForge

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Related Compounds

6-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176844541
N-[4-(5-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 139352842
N,N,6-triphenylnaphtho[2,1-b][1]benzofuran-9-amine
CID 176844324
N-(3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 156577441
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 70808580
N-[(2E,4E)-5-dibenzofuran-4-ylhexa-2,4-dien-2-yl]-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-3-amine
CID 167235486
N-(4-benzo[c]phenanthren-5-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 167181669
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 139363157
N-(4-benzo[g]phenanthren-3-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 167184000
N-(4-phenylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 172501001
N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-N-[4-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 134337496

Frequently Asked Questions

What is the IUPAC name of N-[4-[11-[(2E,4Z)-5-aminopenta-2,4-dien-2-yl]naphtho[2,1-b][1]benzofuran-6-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-[4-[11-[(2E,4Z)-5-aminopenta-2,4-dien-2-yl]naphtho[2,1-b][1]benzofuran-6-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine (CID 156549119) is N-[4-[11-[(2E,4Z)-5-aminopenta-2,4-dien-2-yl]naphtho[2,1-b][1]benzofuran-6-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-[4-[11-[(2E,4Z)-5-aminopenta-2,4-dien-2-yl]naphtho[2,1-b][1]benzofuran-6-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-[4-[11-[(2E,4Z)-5-aminopenta-2,4-dien-2-yl]naphtho[2,1-b][1]benzofuran-6-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine is C/C(=C\C=C/N)c1cccc2oc3c(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)oc5ccccc56)cc4)cc4ccccc4c3c12.
What is the InChIKey of N-[4-[11-[(2E,4Z)-5-aminopenta-2,4-dien-2-yl]naphtho[2,1-b][1]benzofuran-6-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is IEGKZBILPOGXAS-MMUYVEJWSA-N. The full InChI is InChI=1S/C51H36N2O2/c1-33(11-10-30-52)41-17-9-19-47-49(41)50-42-15-6-5-14-37(42)31-45(51(50)55-47)36-22-26-39(27-23-36)53(38-24-20-35(21-25-38)34-12-3-2-4-13-34)40-28-29-44-43-16-7-8-18-46(43)54-48(44)32-40/h2-32H,52H2,1H3/b30-10-,33-11+.
What are the key properties of N-[4-[11-[(2E,4Z)-5-aminopenta-2,4-dien-2-yl]naphtho[2,1-b][1]benzofuran-6-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine?
N-[4-[11-[(2E,4Z)-5-aminopenta-2,4-dien-2-yl]naphtho[2,1-b][1]benzofuran-6-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 708.86 g/mol, XLogP of 14.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[11-[(2E,4Z)-5-aminopenta-2,4-dien-2-yl]naphtho[2,1-b][1]benzofuran-6-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 156549119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).