4-[N-(9,9-dimethyl-7-phenylfluoren-2-yl)-4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)anilino]benzonitrile

C56H38N2O — CID 67964681

IUPAC4-[N-(9,9-dimethyl-7-phenylfluoren-2-yl)-4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)anilino]benzonitrile
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc(C#N)cc3)c3ccc(-c4ccc(-c5ccc6oc7ccc8ccccc8c7c6c5)cc4)cc3)cc21
InChIInChI=1S/C56H38N2O/c1-56(2)51-33-43(37-8-4-3-5-9-37)20-28-48(51)49-29-27-46(34-52(49)56)58(44-23-12-36(35-57)13-24-44)45-25-18-39(19-26-45)38-14-16-40(17-15-38)42-22-30-53-50(32-42)55-47-11-7-6-10-41(47)21-31-54(55)59-53/h3-34H,1-2H3
InChIKeyHJFMMSISLJJNCD-UHFFFAOYSA-N
MW754.93 g/mol
LogP15.39
Rot. Bonds6

About 4-[N-(9,9-dimethyl-7-phenylfluoren-2-yl)-4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)anilino]benzonitrile

4-[N-(9,9-dimethyl-7-phenylfluoren-2-yl)-4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)anilino]benzonitrile (PubChem CID 67964681) has the molecular formula C56H38N2O and a molecular weight of 754.93 g/mol. Its IUPAC name is 4-[N-(9,9-dimethyl-7-phenylfluoren-2-yl)-4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)anilino]benzonitrile.

Molecular Properties

Compound Name4-[N-(9,9-dimethyl-7-phenylfluoren-2-yl)-4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)anilino]benzonitrile
PubChem CID67964681
Molecular FormulaC56H38N2O
Molecular Weight754.93 g/mol
Exact Mass754.30
IUPAC Name4-[N-(9,9-dimethyl-7-phenylfluoren-2-yl)-4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)anilino]benzonitrile
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc(C#N)cc3)c3ccc(-c4ccc(-c5ccc6oc7ccc8ccccc8c7c6c5)cc4)cc3)cc21
InChIInChI=1S/C56H38N2O/c1-56(2)51-33-43(37-8-4-3-5-9-37)20-28-48(51)49-29-27-46(34-52(49)56)58(44-23-12-36(35-57)13-24-44)45-25-18-39(19-26-45)38-14-16-40(17-15-38)42-22-30-53-50(32-42)55-47-11-7-6-10-41(47)21-31-54(55)59-53/h3-34H,1-2H3
InChIKeyHJFMMSISLJJNCD-UHFFFAOYSA-N
XLogP15.39
TPSA40.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.93
LogP ≤ 515.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[N-(9,9-dimethyl-7-phenylfluoren-2-yl)-4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)anilino]benzonitrile 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-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-7-phenylfluoren-2-amine
CID 67964174
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-7-phenylfluoren-2-amine;9,9-dimethyl-N-naphthalen-1-yl-N-[4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-7-phenylfluoren-2-amine;9,9-dimethyl-N-naphthalen-2-yl-N-[4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-7-phenylfluoren-2-amine
CID 159656584
N,N-bis(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)aniline;7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 159384887
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157298586
4-[4-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)anilino]benzonitrile
CID 67964745
N-[4-[4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 67964102
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 67964088
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-7-phenylfluoren-2-amine
CID 67964327
N,N-bis(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine;N,N-bis(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)aniline;4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 159396574
7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(3-phenylphenyl)phenyl]fluoren-2-amine;7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 157073472
N,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline;4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline;7-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)-9,9-dimethylfluoren-2-amine;N,N,4-tris(4-dibenzofuran-2-ylphenyl)aniline
CID 158947437
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-naphthalen-2-yl-N-(4-phenylphenyl)fluoren-2-amine
CID 160649120

Frequently Asked Questions

What is the IUPAC name of 4-[N-(9,9-dimethyl-7-phenylfluoren-2-yl)-4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)anilino]benzonitrile?
The IUPAC name of 4-[N-(9,9-dimethyl-7-phenylfluoren-2-yl)-4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)anilino]benzonitrile (CID 67964681) is 4-[N-(9,9-dimethyl-7-phenylfluoren-2-yl)-4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)anilino]benzonitrile.
What is the SMILES notation for 4-[N-(9,9-dimethyl-7-phenylfluoren-2-yl)-4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)anilino]benzonitrile?
The canonical SMILES for 4-[N-(9,9-dimethyl-7-phenylfluoren-2-yl)-4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)anilino]benzonitrile is CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc(C#N)cc3)c3ccc(-c4ccc(-c5ccc6oc7ccc8ccccc8c7c6c5)cc4)cc3)cc21.
What is the InChIKey of 4-[N-(9,9-dimethyl-7-phenylfluoren-2-yl)-4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)anilino]benzonitrile?
The InChIKey is HJFMMSISLJJNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2O/c1-56(2)51-33-43(37-8-4-3-5-9-37)20-28-48(51)49-29-27-46(34-52(49)56)58(44-23-12-36(35-57)13-24-44)45-25-18-39(19-26-45)38-14-16-40(17-15-38)42-22-30-53-50(32-42)55-47-11-7-6-10-41(47)21-31-54(55)59-53/h3-34H,1-2H3.
What are the key properties of 4-[N-(9,9-dimethyl-7-phenylfluoren-2-yl)-4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)anilino]benzonitrile?
4-[N-(9,9-dimethyl-7-phenylfluoren-2-yl)-4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)anilino]benzonitrile has a molecular weight of 754.93 g/mol, XLogP of 15.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-(9,9-dimethyl-7-phenylfluoren-2-yl)-4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)anilino]benzonitrile is sourced from PubChem (CID 67964681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).