N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9-(4,6-diphenylpyrimidin-2-yl)-N-(4-phenylphenyl)-7,8-dihydrodibenzofuran-3-amine

C55H43N3O — CID 170019155

IUPACN-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9-(4,6-diphenylpyrimidin-2-yl)-N-(4-phenylphenyl)-7,8-dihydrodibenzofuran-3-amine
SMILESCC1(C)C2=C(C=CCC2)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c5c(oc4c3)=CCCC=5c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc21
InChIInChI=1S/C55H43N3O/c1-55(2)47-23-13-12-21-43(47)44-31-29-41(33-48(44)55)58(40-27-25-37(26-28-40)36-15-6-3-7-16-36)42-30-32-45-52(34-42)59-51-24-14-22-46(53(45)51)54-56-49(38-17-8-4-9-18-38)35-50(57-54)39-19-10-5-11-20-39/h3-12,15-21,24-35H,13-14,22-23H2,1-2H3
InChIKeyLYGGVOWVDCZUHJ-UHFFFAOYSA-N
MW761.97 g/mol
LogP12.86
Rot. Bonds7

About N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9-(4,6-diphenylpyrimidin-2-yl)-N-(4-phenylphenyl)-7,8-dihydrodibenzofuran-3-amine

N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9-(4,6-diphenylpyrimidin-2-yl)-N-(4-phenylphenyl)-7,8-dihydrodibenzofuran-3-amine (PubChem CID 170019155) has the molecular formula C55H43N3O and a molecular weight of 761.97 g/mol. Its IUPAC name is N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9-(4,6-diphenylpyrimidin-2-yl)-N-(4-phenylphenyl)-7,8-dihydrodibenzofuran-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9-(4,6-diphenylpyrimidin-2-yl)-N-(4-phenylphenyl)-7,8-dihydrodibenzofuran-3-amine
PubChem CID170019155
Molecular FormulaC55H43N3O
Molecular Weight761.97 g/mol
Exact Mass761.34
IUPAC NameN-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9-(4,6-diphenylpyrimidin-2-yl)-N-(4-phenylphenyl)-7,8-dihydrodibenzofuran-3-amine
SMILESCC1(C)C2=C(C=CCC2)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c5c(oc4c3)=CCCC=5c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc21
InChIInChI=1S/C55H43N3O/c1-55(2)47-23-13-12-21-43(47)44-31-29-41(33-48(44)55)58(40-27-25-37(26-28-40)36-15-6-3-7-16-36)42-30-32-45-52(34-42)59-51-24-14-22-46(53(45)51)54-56-49(38-17-8-4-9-18-38)35-50(57-54)39-19-10-5-11-20-39/h3-12,15-21,24-35H,13-14,22-23H2,1-2H3
InChIKeyLYGGVOWVDCZUHJ-UHFFFAOYSA-N
XLogP12.86
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.97
LogP ≤ 512.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9-(4,6-diphenylpyrimidin-2-yl)-N-(4-phenylphenyl)-7,8-dihydrodibenzofuran-3-amine 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

N-[4-[4-[6-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 68546573
2-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2-N,6-N,6-N-tris(9,9-dimethylfluoren-2-yl)-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
CID 89189585
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]-7,8-dihydrofluoren-2-amine
CID 70894315
9,9-dimethyl-N-(3-phenylphenyl)-N-[4-(4-triphenylen-1-ylphenyl)phenyl]-7,8-dihydrofluoren-2-amine
CID 153357644
9-[4-[4-(3-cyclohexa-1,3-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-N-phenyl-N-(3-phenylphenyl)-7,8-dihydrodibenzofuran-3-amine
CID 170021431
9,9-dimethyl-N-[4-[9-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)dibenzofuran-3-yl]phenyl]-N-phenylfluoren-2-amine
CID 170093188
4-[9-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline
CID 166723492
7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine;4-(2,6-diphenylpyrimidin-4-yl)-N-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-N-phenylaniline;N-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160636575
N-(4-dibenzofuran-2-ylphenyl)-N-[3-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-7,8-dihydrofluoren-2-amine
CID 126548375
N-(9,9-dimethylfluoren-2-yl)-8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-N-phenyldibenzofuran-1-amine
CID 163862815
5-cyclohexa-1,5-dien-1-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 167252538
N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 88534275

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9-(4,6-diphenylpyrimidin-2-yl)-N-(4-phenylphenyl)-7,8-dihydrodibenzofuran-3-amine?
The IUPAC name of N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9-(4,6-diphenylpyrimidin-2-yl)-N-(4-phenylphenyl)-7,8-dihydrodibenzofuran-3-amine (CID 170019155) is N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9-(4,6-diphenylpyrimidin-2-yl)-N-(4-phenylphenyl)-7,8-dihydrodibenzofuran-3-amine.
What is the SMILES notation for N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9-(4,6-diphenylpyrimidin-2-yl)-N-(4-phenylphenyl)-7,8-dihydrodibenzofuran-3-amine?
The canonical SMILES for N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9-(4,6-diphenylpyrimidin-2-yl)-N-(4-phenylphenyl)-7,8-dihydrodibenzofuran-3-amine is CC1(C)C2=C(C=CCC2)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c5c(oc4c3)=CCCC=5c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc21.
What is the InChIKey of N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9-(4,6-diphenylpyrimidin-2-yl)-N-(4-phenylphenyl)-7,8-dihydrodibenzofuran-3-amine?
The InChIKey is LYGGVOWVDCZUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H43N3O/c1-55(2)47-23-13-12-21-43(47)44-31-29-41(33-48(44)55)58(40-27-25-37(26-28-40)36-15-6-3-7-16-36)42-30-32-45-52(34-42)59-51-24-14-22-46(53(45)51)54-56-49(38-17-8-4-9-18-38)35-50(57-54)39-19-10-5-11-20-39/h3-12,15-21,24-35H,13-14,22-23H2,1-2H3.
What are the key properties of N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9-(4,6-diphenylpyrimidin-2-yl)-N-(4-phenylphenyl)-7,8-dihydrodibenzofuran-3-amine?
N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9-(4,6-diphenylpyrimidin-2-yl)-N-(4-phenylphenyl)-7,8-dihydrodibenzofuran-3-amine has a molecular weight of 761.97 g/mol, XLogP of 12.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9-(4,6-diphenylpyrimidin-2-yl)-N-(4-phenylphenyl)-7,8-dihydrodibenzofuran-3-amine is sourced from PubChem (CID 170019155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).