1-N,6-N-bis(1,9b-dihydrodibenzofuran-4-yl)-3,8-bis(3-methylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine

C66H48N2O2 — CID 174299251

IUPAC1-N,6-N-bis(1,9b-dihydrodibenzofuran-4-yl)-3,8-bis(3-methylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine
SMILESCc1cccc(-c2cc(N(C3=C4Oc5ccccc5C4CC=C3)c3ccccc3)c3ccc4c(-c5cccc(C)c5)cc(N(C5=C6Oc7ccccc7C6CC=C5)c5ccccc5)c5ccc2c3c45)c1
InChIInChI=1S/C66H48N2O2/c1-41-17-13-19-43(37-41)55-39-59(67(45-21-5-3-6-22-45)57-29-15-27-51-47-25-9-11-31-61(47)69-65(51)57)53-36-34-50-56(44-20-14-18-42(2)38-44)40-60(54-35-33-49(55)63(53)64(50)54)68(46-23-7-4-8-24-46)58-30-16-28-52-48-26-10-12-32-62(48)70-66(52)58/h3-26,29-40,51-52H,27-28H2,1-2H3
InChIKeyPSZUGYITNTVNNE-UHFFFAOYSA-N
MW901.12 g/mol
LogP17.51
Rot. Bonds8

About 1-N,6-N-bis(1,9b-dihydrodibenzofuran-4-yl)-3,8-bis(3-methylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine

1-N,6-N-bis(1,9b-dihydrodibenzofuran-4-yl)-3,8-bis(3-methylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine (PubChem CID 174299251) has the molecular formula C66H48N2O2 and a molecular weight of 901.12 g/mol. Its IUPAC name is 1-N,6-N-bis(1,9b-dihydrodibenzofuran-4-yl)-3,8-bis(3-methylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine.

Molecular Properties

Compound Name1-N,6-N-bis(1,9b-dihydrodibenzofuran-4-yl)-3,8-bis(3-methylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine
PubChem CID174299251
Molecular FormulaC66H48N2O2
Molecular Weight901.12 g/mol
Exact Mass900.37
IUPAC Name1-N,6-N-bis(1,9b-dihydrodibenzofuran-4-yl)-3,8-bis(3-methylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine
SMILESCc1cccc(-c2cc(N(C3=C4Oc5ccccc5C4CC=C3)c3ccccc3)c3ccc4c(-c5cccc(C)c5)cc(N(C5=C6Oc7ccccc7C6CC=C5)c5ccccc5)c5ccc2c3c45)c1
InChIInChI=1S/C66H48N2O2/c1-41-17-13-19-43(37-41)55-39-59(67(45-21-5-3-6-22-45)57-29-15-27-51-47-25-9-11-31-61(47)69-65(51)57)53-36-34-50-56(44-20-14-18-42(2)38-44)40-60(54-35-33-49(55)63(53)64(50)54)68(46-23-7-4-8-24-46)58-30-16-28-52-48-26-10-12-32-62(48)70-66(52)58/h3-26,29-40,51-52H,27-28H2,1-2H3
InChIKeyPSZUGYITNTVNNE-UHFFFAOYSA-N
XLogP17.51
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.12
LogP ≤ 517.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-N,6-N-bis(1,9b-dihydrodibenzofuran-4-yl)-3,8-bis(3-methylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,6-N-bis(4-methylphenyl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine
CID 58323056
1-N,6-N-bis(3-methylphenyl)-3,8-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine
CID 58383811
N-[4-[4-(1,9b-dihydrodibenzofuran-4-yl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline
CID 130390524
N,N,3,8-tetraphenyl-6-[4-(N-phenylanilino)phenyl]pyren-1-amine
CID 118516667
1-N,6-N-bis(4-tert-butylphenyl)-3,8-dinaphthalen-2-yl-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dinaphthalen-2-yl-1-N,1-N,6-N,6-N-tetrakis(3-phenylphenyl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,5-dimethylphenyl)-3,8-dinaphthalen-2-ylpyrene-1,6-diamine
CID 160638622
1-N,6-N-dinaphthalen-2-yl-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine
CID 58323098
N-(4-benzo[c]phenanthren-5-ylphenyl)-N-phenyl-6,6a-dihydronaphtho[1,2-b][1]benzofuran-1-amine
CID 170228880
2-N,6-N-bis(4-cyclopentylphenyl)-9,10-diphenyl-2-N,6-N-bis(4-propan-2-ylphenyl)anthracene-2,6-diamine;1-N,6-N-bis(4-methylphenyl)-3,8-dinaphthalen-2-yl-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dinaphthalen-2-yl-1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine;bis(1-N,1-N,6-N,6-N-tetrakis(3-methylphenyl)-3,8-dinaphthalen-2-ylpyrene-1,6-diamine)
CID 157096228
1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine
CID 162003891
1,3,6,8-tetrakis(3-methylphenyl)pyrene;1,3,6,8-tetranaphthalen-2-ylpyrene;1,3,6,8-tetraphenylpyrene
CID 161370892
3,8-diphenyl-1-N,6-N-bis(4-phenylphenyl)-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine
CID 58383859
N-[4-(1,9b-dihydrodibenzofuran-4-yl)phenyl]-N-(6-phenyl-2,3-dihydrodibenzothiophen-4-yl)dibenzofuran-3-amine
CID 167397352

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-bis(1,9b-dihydrodibenzofuran-4-yl)-3,8-bis(3-methylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine?
The IUPAC name of 1-N,6-N-bis(1,9b-dihydrodibenzofuran-4-yl)-3,8-bis(3-methylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine (CID 174299251) is 1-N,6-N-bis(1,9b-dihydrodibenzofuran-4-yl)-3,8-bis(3-methylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine.
What is the SMILES notation for 1-N,6-N-bis(1,9b-dihydrodibenzofuran-4-yl)-3,8-bis(3-methylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine?
The canonical SMILES for 1-N,6-N-bis(1,9b-dihydrodibenzofuran-4-yl)-3,8-bis(3-methylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine is Cc1cccc(-c2cc(N(C3=C4Oc5ccccc5C4CC=C3)c3ccccc3)c3ccc4c(-c5cccc(C)c5)cc(N(C5=C6Oc7ccccc7C6CC=C5)c5ccccc5)c5ccc2c3c45)c1.
What is the InChIKey of 1-N,6-N-bis(1,9b-dihydrodibenzofuran-4-yl)-3,8-bis(3-methylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine?
The InChIKey is PSZUGYITNTVNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H48N2O2/c1-41-17-13-19-43(37-41)55-39-59(67(45-21-5-3-6-22-45)57-29-15-27-51-47-25-9-11-31-61(47)69-65(51)57)53-36-34-50-56(44-20-14-18-42(2)38-44)40-60(54-35-33-49(55)63(53)64(50)54)68(46-23-7-4-8-24-46)58-30-16-28-52-48-26-10-12-32-62(48)70-66(52)58/h3-26,29-40,51-52H,27-28H2,1-2H3.
What are the key properties of 1-N,6-N-bis(1,9b-dihydrodibenzofuran-4-yl)-3,8-bis(3-methylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine?
1-N,6-N-bis(1,9b-dihydrodibenzofuran-4-yl)-3,8-bis(3-methylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine has a molecular weight of 901.12 g/mol, XLogP of 17.51, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-bis(1,9b-dihydrodibenzofuran-4-yl)-3,8-bis(3-methylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine is sourced from PubChem (CID 174299251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).