N-cyclohexa-1,5-dien-1-yl-11-(1,2-dihydropyridin-3-yl)-N-naphthalen-1-ylnaphtho[2,1-b][1]benzofuran-5-amine

C37H28N2O — CID 156549206

IUPACN-cyclohexa-1,5-dien-1-yl-11-(1,2-dihydropyridin-3-yl)-N-naphthalen-1-ylnaphtho[2,1-b][1]benzofuran-5-amine
SMILESC1=CNCC(c2cccc3oc4cc(N(C5=CCCC=C5)c5cccc6ccccc56)c5ccccc5c4c23)=C1
InChIInChI=1S/C37H28N2O/c1-2-14-27(15-3-1)39(32-20-8-12-25-11-4-5-16-28(25)32)33-23-35-37(31-18-7-6-17-30(31)33)36-29(19-9-21-34(36)40-35)26-13-10-22-38-24-26/h2,4-23,38H,1,3,24H2
InChIKeySEHCKMNFQZHNQV-UHFFFAOYSA-N
MW516.64 g/mol
LogP9.76
Rot. Bonds4

About N-cyclohexa-1,5-dien-1-yl-11-(1,2-dihydropyridin-3-yl)-N-naphthalen-1-ylnaphtho[2,1-b][1]benzofuran-5-amine

N-cyclohexa-1,5-dien-1-yl-11-(1,2-dihydropyridin-3-yl)-N-naphthalen-1-ylnaphtho[2,1-b][1]benzofuran-5-amine (PubChem CID 156549206) has the molecular formula C37H28N2O and a molecular weight of 516.64 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-yl-11-(1,2-dihydropyridin-3-yl)-N-naphthalen-1-ylnaphtho[2,1-b][1]benzofuran-5-amine.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-yl-11-(1,2-dihydropyridin-3-yl)-N-naphthalen-1-ylnaphtho[2,1-b][1]benzofuran-5-amine
PubChem CID156549206
Molecular FormulaC37H28N2O
Molecular Weight516.64 g/mol
Exact Mass516.22
IUPAC NameN-cyclohexa-1,5-dien-1-yl-11-(1,2-dihydropyridin-3-yl)-N-naphthalen-1-ylnaphtho[2,1-b][1]benzofuran-5-amine
SMILESC1=CNCC(c2cccc3oc4cc(N(C5=CCCC=C5)c5cccc6ccccc56)c5ccccc5c4c23)=C1
InChIInChI=1S/C37H28N2O/c1-2-14-27(15-3-1)39(32-20-8-12-25-11-4-5-16-28(25)32)33-23-35-37(31-18-7-6-17-30(31)33)36-29(19-9-21-34(36)40-35)26-13-10-22-38-24-26/h2,4-23,38H,1,3,24H2
InChIKeySEHCKMNFQZHNQV-UHFFFAOYSA-N
XLogP9.76
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.64
LogP ≤ 59.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexa-1,5-dien-1-yl-N-naphthalen-1-yl-6-(3-phenylphenyl)dibenzofuran-2-amine
CID 130240746
11-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,1-b][1]benzofuran-5-amine
CID 167363481
9-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N-naphthalen-1-yl-N-phenyldibenzofuran-3-amine
CID 170020737
N-[2-[2-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 167087101
4-N-cyclohexa-1,5-dien-1-yl-4-N-phenylnaphthalene-1,4-diamine
CID 145158036
N-[4-[7-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 170094690
N-(2-cyclohexa-1,3-dien-1-ylphenyl)-N-naphthalen-1-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-amine;methane
CID 159282486
N-[4-(5-cyclopenta-1,3-dien-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 155440720
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-5-amine
CID 167363460
N-dibenzofuran-4-yl-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine
CID 90262894
2-(5-phenylnaphtho[2,1-b][1]benzofuran-11-yl)-N,N-bis(4-phenylphenyl)aniline
CID 170301670
N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 153468594

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,5-dien-1-yl-11-(1,2-dihydropyridin-3-yl)-N-naphthalen-1-ylnaphtho[2,1-b][1]benzofuran-5-amine?
The IUPAC name of N-cyclohexa-1,5-dien-1-yl-11-(1,2-dihydropyridin-3-yl)-N-naphthalen-1-ylnaphtho[2,1-b][1]benzofuran-5-amine (CID 156549206) is N-cyclohexa-1,5-dien-1-yl-11-(1,2-dihydropyridin-3-yl)-N-naphthalen-1-ylnaphtho[2,1-b][1]benzofuran-5-amine.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-yl-11-(1,2-dihydropyridin-3-yl)-N-naphthalen-1-ylnaphtho[2,1-b][1]benzofuran-5-amine?
The canonical SMILES for N-cyclohexa-1,5-dien-1-yl-11-(1,2-dihydropyridin-3-yl)-N-naphthalen-1-ylnaphtho[2,1-b][1]benzofuran-5-amine is C1=CNCC(c2cccc3oc4cc(N(C5=CCCC=C5)c5cccc6ccccc56)c5ccccc5c4c23)=C1.
What is the InChIKey of N-cyclohexa-1,5-dien-1-yl-11-(1,2-dihydropyridin-3-yl)-N-naphthalen-1-ylnaphtho[2,1-b][1]benzofuran-5-amine?
The InChIKey is SEHCKMNFQZHNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28N2O/c1-2-14-27(15-3-1)39(32-20-8-12-25-11-4-5-16-28(25)32)33-23-35-37(31-18-7-6-17-30(31)33)36-29(19-9-21-34(36)40-35)26-13-10-22-38-24-26/h2,4-23,38H,1,3,24H2.
What are the key properties of N-cyclohexa-1,5-dien-1-yl-11-(1,2-dihydropyridin-3-yl)-N-naphthalen-1-ylnaphtho[2,1-b][1]benzofuran-5-amine?
N-cyclohexa-1,5-dien-1-yl-11-(1,2-dihydropyridin-3-yl)-N-naphthalen-1-ylnaphtho[2,1-b][1]benzofuran-5-amine has a molecular weight of 516.64 g/mol, XLogP of 9.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,5-dien-1-yl-11-(1,2-dihydropyridin-3-yl)-N-naphthalen-1-ylnaphtho[2,1-b][1]benzofuran-5-amine is sourced from PubChem (CID 156549206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).