2-N,4-N,3-triphenyl-2-N-(4-phenylphenyl)-6H-cyclohepta[b][1]benzofuran-2,4-diamine

C43H32N2O — CID 145265088

IUPAC2-N,4-N,3-triphenyl-2-N-(4-phenylphenyl)-6H-cyclohepta[b][1]benzofuran-2,4-diamine
SMILESC1=CCc2oc3c(Nc4ccccc4)c(-c4ccccc4)c(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3c2C=C1
InChIInChI=1S/C43H32N2O/c1-6-16-31(17-7-1)32-26-28-36(29-27-32)45(35-22-12-4-13-23-35)39-30-38-37-24-14-5-15-25-40(37)46-43(38)42(44-34-20-10-3-11-21-34)41(39)33-18-8-2-9-19-33/h1-24,26-30,44H,25H2
InChIKeyONAPCCVASQPNET-UHFFFAOYSA-N
MW592.74 g/mol
LogP12.11
Rot. Bonds7

About 2-N,4-N,3-triphenyl-2-N-(4-phenylphenyl)-6H-cyclohepta[b][1]benzofuran-2,4-diamine

2-N,4-N,3-triphenyl-2-N-(4-phenylphenyl)-6H-cyclohepta[b][1]benzofuran-2,4-diamine (PubChem CID 145265088) has the molecular formula C43H32N2O and a molecular weight of 592.74 g/mol. Its IUPAC name is 2-N,4-N,3-triphenyl-2-N-(4-phenylphenyl)-6H-cyclohepta[b][1]benzofuran-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N,3-triphenyl-2-N-(4-phenylphenyl)-6H-cyclohepta[b][1]benzofuran-2,4-diamine
PubChem CID145265088
Molecular FormulaC43H32N2O
Molecular Weight592.74 g/mol
Exact Mass592.25
IUPAC Name2-N,4-N,3-triphenyl-2-N-(4-phenylphenyl)-6H-cyclohepta[b][1]benzofuran-2,4-diamine
SMILESC1=CCc2oc3c(Nc4ccccc4)c(-c4ccccc4)c(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3c2C=C1
InChIInChI=1S/C43H32N2O/c1-6-16-31(17-7-1)32-26-28-36(29-27-32)45(35-22-12-4-13-23-35)39-30-38-37-24-14-5-15-25-40(37)46-43(38)42(44-34-20-10-3-11-21-34)41(39)33-18-8-2-9-19-33/h1-24,26-30,44H,25H2
InChIKeyONAPCCVASQPNET-UHFFFAOYSA-N
XLogP12.11
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.74
LogP ≤ 512.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N,4-N,3-triphenyl-2-N-(4-phenylphenyl)-6H-cyclohepta[b][1]benzofuran-2,4-diamine with MolForge

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Related Compounds

ethane;2-N,4-N,3-triphenyl-2-N-(4-phenylphenyl)-6H-cyclohepta[b][1]benzofuran-2,4-diamine
CID 145265087
N,2-diphenyl-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzofuran-3-amine
CID 142406198
4-N-[4-(4-anilinophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 127255463
4-(4-anilinophenyl)-N,N-bis(4-phenylphenyl)naphthalen-1-amine
CID 59181360
N,4-bis(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 135277344
4-phenyl-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 135277582
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine
CID 158981468
N-[4-(10H-cyclohepta[b][1]benzofuran-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline
CID 170061980
8-bromo-N-(10,10-dimethyl-5H-benzo[a]azulen-4-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 155327596
naphthalene;2-N-naphthalen-1-yl-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 160961200
6-N,12-N-bis(4-methylphenyl)-6-N-phenyl-12-N-(4-phenylphenyl)chrysene-6,12-diamine
CID 137470587
benzene;N-(4-cyclohepta-1,3,5-trien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)aniline
CID 143529579

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,3-triphenyl-2-N-(4-phenylphenyl)-6H-cyclohepta[b][1]benzofuran-2,4-diamine?
The IUPAC name of 2-N,4-N,3-triphenyl-2-N-(4-phenylphenyl)-6H-cyclohepta[b][1]benzofuran-2,4-diamine (CID 145265088) is 2-N,4-N,3-triphenyl-2-N-(4-phenylphenyl)-6H-cyclohepta[b][1]benzofuran-2,4-diamine.
What is the SMILES notation for 2-N,4-N,3-triphenyl-2-N-(4-phenylphenyl)-6H-cyclohepta[b][1]benzofuran-2,4-diamine?
The canonical SMILES for 2-N,4-N,3-triphenyl-2-N-(4-phenylphenyl)-6H-cyclohepta[b][1]benzofuran-2,4-diamine is C1=CCc2oc3c(Nc4ccccc4)c(-c4ccccc4)c(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3c2C=C1.
What is the InChIKey of 2-N,4-N,3-triphenyl-2-N-(4-phenylphenyl)-6H-cyclohepta[b][1]benzofuran-2,4-diamine?
The InChIKey is ONAPCCVASQPNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N2O/c1-6-16-31(17-7-1)32-26-28-36(29-27-32)45(35-22-12-4-13-23-35)39-30-38-37-24-14-5-15-25-40(37)46-43(38)42(44-34-20-10-3-11-21-34)41(39)33-18-8-2-9-19-33/h1-24,26-30,44H,25H2.
What are the key properties of 2-N,4-N,3-triphenyl-2-N-(4-phenylphenyl)-6H-cyclohepta[b][1]benzofuran-2,4-diamine?
2-N,4-N,3-triphenyl-2-N-(4-phenylphenyl)-6H-cyclohepta[b][1]benzofuran-2,4-diamine has a molecular weight of 592.74 g/mol, XLogP of 12.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,3-triphenyl-2-N-(4-phenylphenyl)-6H-cyclohepta[b][1]benzofuran-2,4-diamine is sourced from PubChem (CID 145265088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).