N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-8-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine

C58H45N — CID 167232102

IUPACN-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-8-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc4cccc5c4c3-c3cccc(-c4ccccc4)c3C5(C)C)cc21
InChIInChI=1S/C58H45N/c1-57(2)50-23-12-11-20-47(50)48-35-34-45(37-52(48)57)59(44-32-29-41(30-33-44)40-27-25-39(26-28-40)38-15-7-5-8-16-38)53-36-31-43-19-13-24-51-54(43)55(53)49-22-14-21-46(56(49)58(51,3)4)42-17-9-6-10-18-42/h5-37H,1-4H3
InChIKeyOEMRMOJYONLADX-UHFFFAOYSA-N
MW756.01 g/mol
LogP15.92
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-8-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine

N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-8-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine (PubChem CID 167232102) has the molecular formula C58H45N and a molecular weight of 756.01 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-8-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-8-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine
PubChem CID167232102
Molecular FormulaC58H45N
Molecular Weight756.01 g/mol
Exact Mass755.36
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-8-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc4cccc5c4c3-c3cccc(-c4ccccc4)c3C5(C)C)cc21
InChIInChI=1S/C58H45N/c1-57(2)50-23-12-11-20-47(50)48-35-34-45(37-52(48)57)59(44-32-29-41(30-33-44)40-27-25-39(26-28-40)38-15-7-5-8-16-38)53-36-31-43-19-13-24-51-54(43)55(53)49-22-14-21-46(56(49)58(51,3)4)42-17-9-6-10-18-42/h5-37H,1-4H3
InChIKeyOEMRMOJYONLADX-UHFFFAOYSA-N
XLogP15.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.01
LogP ≤ 515.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-8-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-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,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-9-phenylbenzo[a]phenalen-1-amine
CID 167232083
7,7-dimethyl-N-naphthalen-2-yl-8-phenyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine
CID 167232111
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-naphthalen-1-ylphenyl)-10-phenylbenzo[a]phenalen-1-amine
CID 167232240
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-naphthalen-1-ylphenyl)benzo[a]phenalen-1-amine
CID 167232336
7,7-dimethyl-9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine
CID 167232078
N-(9,9-diphenylfluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine
CID 167232339
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)fluoranthen-1-amine
CID 139498825
7,7-dimethyl-1-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]phenalen-9-amine
CID 167232028
N-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 170215470
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218178
N-(9,9-dimethyl-2,7-diphenylfluoren-4-yl)-N-(9,9-dimethylfluoren-2-yl)fluoranthen-1-amine
CID 139499012
7,7-dimethyl-9-naphthalen-2-yl-N,N-bis(4-phenylphenyl)benzo[a]phenalen-1-amine
CID 167232547

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-8-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-8-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine (CID 167232102) is N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-8-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-8-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-8-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc4cccc5c4c3-c3cccc(-c4ccccc4)c3C5(C)C)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-8-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine?
The InChIKey is OEMRMOJYONLADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H45N/c1-57(2)50-23-12-11-20-47(50)48-35-34-45(37-52(48)57)59(44-32-29-41(30-33-44)40-27-25-39(26-28-40)38-15-7-5-8-16-38)53-36-31-43-19-13-24-51-54(43)55(53)49-22-14-21-46(56(49)58(51,3)4)42-17-9-6-10-18-42/h5-37H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-8-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine?
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-8-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine has a molecular weight of 756.01 g/mol, XLogP of 15.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-8-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine is sourced from PubChem (CID 167232102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).