N-[4-(5-dibenzofuran-2-yl-7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-N-phenyldibenzofuran-2-amine

C55H37NO2 — CID 135299697

IUPACN-[4-(5-dibenzofuran-2-yl-7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-N-phenyldibenzofuran-2-amine
SMILESCC1(C)c2cc(-c3ccc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)cc3)ccc2-c2c1cc(-c1ccc3oc4ccccc4c3c1)c1ccccc21
InChIInChI=1S/C55H37NO2/c1-55(2)48-31-35(34-20-24-38(25-21-34)56(37-12-4-3-5-13-37)39-26-29-53-47(32-39)42-16-9-11-19-51(42)58-53)22-27-44(48)54-43-17-7-6-14-40(43)45(33-49(54)55)36-23-28-52-46(30-36)41-15-8-10-18-50(41)57-52/h3-33H,1-2H3
InChIKeyZHRAVPURZCDPDH-UHFFFAOYSA-N
MW743.91 g/mol
LogP15.75
Rot. Bonds5

About N-[4-(5-dibenzofuran-2-yl-7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-N-phenyldibenzofuran-2-amine

N-[4-(5-dibenzofuran-2-yl-7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-N-phenyldibenzofuran-2-amine (PubChem CID 135299697) has the molecular formula C55H37NO2 and a molecular weight of 743.91 g/mol. Its IUPAC name is N-[4-(5-dibenzofuran-2-yl-7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-N-phenyldibenzofuran-2-amine.

Molecular Properties

Compound NameN-[4-(5-dibenzofuran-2-yl-7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-N-phenyldibenzofuran-2-amine
PubChem CID135299697
Molecular FormulaC55H37NO2
Molecular Weight743.91 g/mol
Exact Mass743.28
IUPAC NameN-[4-(5-dibenzofuran-2-yl-7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-N-phenyldibenzofuran-2-amine
SMILESCC1(C)c2cc(-c3ccc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)cc3)ccc2-c2c1cc(-c1ccc3oc4ccccc4c3c1)c1ccccc21
InChIInChI=1S/C55H37NO2/c1-55(2)48-31-35(34-20-24-38(25-21-34)56(37-12-4-3-5-13-37)39-26-29-53-47(32-39)42-16-9-11-19-51(42)58-53)22-27-44(48)54-43-17-7-6-14-40(43)45(33-49(54)55)36-23-28-52-46(30-36)41-15-8-10-18-50(41)57-52/h3-33H,1-2H3
InChIKeyZHRAVPURZCDPDH-UHFFFAOYSA-N
XLogP15.75
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.91
LogP ≤ 515.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-dibenzofuran-2-yl-7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-N-phenyldibenzofuran-2-amine?
The IUPAC name of N-[4-(5-dibenzofuran-2-yl-7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-N-phenyldibenzofuran-2-amine (CID 135299697) is N-[4-(5-dibenzofuran-2-yl-7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-N-phenyldibenzofuran-2-amine.
What is the SMILES notation for N-[4-(5-dibenzofuran-2-yl-7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-N-phenyldibenzofuran-2-amine?
The canonical SMILES for N-[4-(5-dibenzofuran-2-yl-7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-N-phenyldibenzofuran-2-amine is CC1(C)c2cc(-c3ccc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)cc3)ccc2-c2c1cc(-c1ccc3oc4ccccc4c3c1)c1ccccc21.
What is the InChIKey of N-[4-(5-dibenzofuran-2-yl-7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-N-phenyldibenzofuran-2-amine?
The InChIKey is ZHRAVPURZCDPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37NO2/c1-55(2)48-31-35(34-20-24-38(25-21-34)56(37-12-4-3-5-13-37)39-26-29-53-47(32-39)42-16-9-11-19-51(42)58-53)22-27-44(48)54-43-17-7-6-14-40(43)45(33-49(54)55)36-23-28-52-46(30-36)41-15-8-10-18-50(41)57-52/h3-33H,1-2H3.
What are the key properties of N-[4-(5-dibenzofuran-2-yl-7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-N-phenyldibenzofuran-2-amine?
N-[4-(5-dibenzofuran-2-yl-7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-N-phenyldibenzofuran-2-amine has a molecular weight of 743.91 g/mol, XLogP of 15.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-dibenzofuran-2-yl-7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-N-phenyldibenzofuran-2-amine is sourced from PubChem (CID 135299697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).