6-N-dibenzofuran-4-yl-3,8-dimethyl-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine

C54H38N2O — CID 144918659

IUPAC6-N-dibenzofuran-4-yl-3,8-dimethyl-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine
SMILESCc1cc(Nc2ccc(-c3ccccc3)cc2)c2ccc3c(C)cc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4oc4ccccc45)c4ccc1c2c34
InChIInChI=1S/C54H38N2O/c1-34-32-48(55-40-24-20-38(21-25-40)36-12-5-3-6-13-36)46-30-28-43-35(2)33-50(47-31-29-42(34)52(46)53(43)47)56(41-26-22-39(23-27-41)37-14-7-4-8-15-37)49-18-11-17-45-44-16-9-10-19-51(44)57-54(45)49/h3-33,55H,1-2H3
InChIKeyBEXCZDPRPVOMIP-UHFFFAOYSA-N
MW730.91 g/mol
LogP15.65
Rot. Bonds7

About 6-N-dibenzofuran-4-yl-3,8-dimethyl-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine

6-N-dibenzofuran-4-yl-3,8-dimethyl-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine (PubChem CID 144918659) has the molecular formula C54H38N2O and a molecular weight of 730.91 g/mol. Its IUPAC name is 6-N-dibenzofuran-4-yl-3,8-dimethyl-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine.

Molecular Properties

Compound Name6-N-dibenzofuran-4-yl-3,8-dimethyl-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine
PubChem CID144918659
Molecular FormulaC54H38N2O
Molecular Weight730.91 g/mol
Exact Mass730.30
IUPAC Name6-N-dibenzofuran-4-yl-3,8-dimethyl-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine
SMILESCc1cc(Nc2ccc(-c3ccccc3)cc2)c2ccc3c(C)cc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4oc4ccccc45)c4ccc1c2c34
InChIInChI=1S/C54H38N2O/c1-34-32-48(55-40-24-20-38(21-25-40)36-12-5-3-6-13-36)46-30-28-43-35(2)33-50(47-31-29-42(34)52(46)53(43)47)56(41-26-22-39(23-27-41)37-14-7-4-8-15-37)49-18-11-17-45-44-16-9-10-19-51(44)57-54(45)49/h3-33,55H,1-2H3
InChIKeyBEXCZDPRPVOMIP-UHFFFAOYSA-N
XLogP15.65
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.91
LogP ≤ 515.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-N-dibenzofuran-4-yl-3,8-dimethyl-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine with MolForge

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Related Compounds

3-N,8-N-di(dibenzofuran-4-yl)-1,6-dimethyl-3-N,8-N-diphenylbenzo[e]pyrene-3,8-diamine
CID 118581628
1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(4-methyl-3-phenylphenyl)-3,8-diphenylpyrene-1,6-diamine
CID 159400063
1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine
CID 162003891
N-(19-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 167411494
N-dibenzofuran-4-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126744
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 121241788
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126595
7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 174244796
N-dibenzofuran-4-yl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167403132
7-tert-butyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(3-phenylphenyl)pyrene-1,3-diamine
CID 122578917
5-dibenzofuran-2-yl-3-N-dibenzofuran-4-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 177116850
9-N,10-N-di(dibenzofuran-4-yl)-2,6-diphenyl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine
CID 89254658

Frequently Asked Questions

What is the IUPAC name of 6-N-dibenzofuran-4-yl-3,8-dimethyl-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine?
The IUPAC name of 6-N-dibenzofuran-4-yl-3,8-dimethyl-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine (CID 144918659) is 6-N-dibenzofuran-4-yl-3,8-dimethyl-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine.
What is the SMILES notation for 6-N-dibenzofuran-4-yl-3,8-dimethyl-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine?
The canonical SMILES for 6-N-dibenzofuran-4-yl-3,8-dimethyl-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine is Cc1cc(Nc2ccc(-c3ccccc3)cc2)c2ccc3c(C)cc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4oc4ccccc45)c4ccc1c2c34.
What is the InChIKey of 6-N-dibenzofuran-4-yl-3,8-dimethyl-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine?
The InChIKey is BEXCZDPRPVOMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2O/c1-34-32-48(55-40-24-20-38(21-25-40)36-12-5-3-6-13-36)46-30-28-43-35(2)33-50(47-31-29-42(34)52(46)53(43)47)56(41-26-22-39(23-27-41)37-14-7-4-8-15-37)49-18-11-17-45-44-16-9-10-19-51(44)57-54(45)49/h3-33,55H,1-2H3.
What are the key properties of 6-N-dibenzofuran-4-yl-3,8-dimethyl-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine?
6-N-dibenzofuran-4-yl-3,8-dimethyl-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine has a molecular weight of 730.91 g/mol, XLogP of 15.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-dibenzofuran-4-yl-3,8-dimethyl-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine is sourced from PubChem (CID 144918659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).