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

C45H38N2O — CID 145265087

IUPACethane;2-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.CC
InChIInChI=1S/C43H32N2O.C2H6/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;1-2/h1-24,26-30,44H,25H2;1-2H3
InChIKeyJMMOYDTWANRKRY-UHFFFAOYSA-N
MW622.81 g/mol
LogP13.13
Rot. Bonds7

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

ethane;2-N,4-N,3-triphenyl-2-N-(4-phenylphenyl)-6H-cyclohepta[b][1]benzofuran-2,4-diamine (PubChem CID 145265087) has the molecular formula C45H38N2O and a molecular weight of 622.81 g/mol. Its IUPAC name is ethane;2-N,4-N,3-triphenyl-2-N-(4-phenylphenyl)-6H-cyclohepta[b][1]benzofuran-2,4-diamine.

Molecular Properties

Compound Nameethane;2-N,4-N,3-triphenyl-2-N-(4-phenylphenyl)-6H-cyclohepta[b][1]benzofuran-2,4-diamine
PubChem CID145265087
Molecular FormulaC45H38N2O
Molecular Weight622.81 g/mol
Exact Mass622.30
IUPAC Nameethane;2-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.CC
InChIInChI=1S/C43H32N2O.C2H6/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;1-2/h1-24,26-30,44H,25H2;1-2H3
InChIKeyJMMOYDTWANRKRY-UHFFFAOYSA-N
XLogP13.13
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.81
LogP ≤ 513.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;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

2-N,4-N,3-triphenyl-2-N-(4-phenylphenyl)-6H-cyclohepta[b][1]benzofuran-2,4-diamine
CID 145265088
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
ethane;1-N,4-N,4-N-triphenylbenzene-1,4-diamine
CID 91177685
N-[4-(10H-cyclohepta[b][1]benzofuran-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline
CID 170061980
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
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

Frequently Asked Questions

What is the IUPAC name of ethane;2-N,4-N,3-triphenyl-2-N-(4-phenylphenyl)-6H-cyclohepta[b][1]benzofuran-2,4-diamine?
The IUPAC name of ethane;2-N,4-N,3-triphenyl-2-N-(4-phenylphenyl)-6H-cyclohepta[b][1]benzofuran-2,4-diamine (CID 145265087) is ethane;2-N,4-N,3-triphenyl-2-N-(4-phenylphenyl)-6H-cyclohepta[b][1]benzofuran-2,4-diamine.
What is the SMILES notation for ethane;2-N,4-N,3-triphenyl-2-N-(4-phenylphenyl)-6H-cyclohepta[b][1]benzofuran-2,4-diamine?
The canonical SMILES for ethane;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.CC.
What is the InChIKey of ethane;2-N,4-N,3-triphenyl-2-N-(4-phenylphenyl)-6H-cyclohepta[b][1]benzofuran-2,4-diamine?
The InChIKey is JMMOYDTWANRKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N2O.C2H6/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;1-2/h1-24,26-30,44H,25H2;1-2H3.
What are the key properties of ethane;2-N,4-N,3-triphenyl-2-N-(4-phenylphenyl)-6H-cyclohepta[b][1]benzofuran-2,4-diamine?
ethane;2-N,4-N,3-triphenyl-2-N-(4-phenylphenyl)-6H-cyclohepta[b][1]benzofuran-2,4-diamine has a molecular weight of 622.81 g/mol, XLogP of 13.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-N,4-N,3-triphenyl-2-N-(4-phenylphenyl)-6H-cyclohepta[b][1]benzofuran-2,4-diamine is sourced from PubChem (CID 145265087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).