N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-3-amine

C55H39N — CID 170675865

IUPACN-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc5ccc6c7ccccc7ccc6c5c4)cc3)c3cccc(-c4ccc5ccccc5c4)c3)ccc21
InChIInChI=1S/C55H39N/c1-55(2)53-17-8-7-16-50(53)52-35-46(28-31-54(52)55)56(45-14-9-13-41(33-45)42-20-18-36-10-3-4-12-40(36)32-42)44-26-22-37(23-27-44)43-21-19-39-25-29-48-47-15-6-5-11-38(47)24-30-49(48)51(39)34-43/h3-35H,1-2H3
InChIKeyXVUZANDYRGQHPM-UHFFFAOYSA-N
MW713.92 g/mol
LogP15.41
Rot. Bonds5

About N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-3-amine

N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-3-amine (PubChem CID 170675865) has the molecular formula C55H39N and a molecular weight of 713.92 g/mol. Its IUPAC name is N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-3-amine.

Molecular Properties

Compound NameN-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-3-amine
PubChem CID170675865
Molecular FormulaC55H39N
Molecular Weight713.92 g/mol
Exact Mass713.31
IUPAC NameN-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc5ccc6c7ccccc7ccc6c5c4)cc3)c3cccc(-c4ccc5ccccc5c4)c3)ccc21
InChIInChI=1S/C55H39N/c1-55(2)53-17-8-7-16-50(53)52-35-46(28-31-54(52)55)56(45-14-9-13-41(33-45)42-20-18-36-10-3-4-12-40(36)32-42)44-26-22-37(23-27-44)43-21-19-39-25-29-48-47-15-6-5-11-38(47)24-30-49(48)51(39)34-43/h3-35H,1-2H3
InChIKeyXVUZANDYRGQHPM-UHFFFAOYSA-N
XLogP15.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.92
LogP ≤ 515.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-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-chrysen-3-ylphenyl)-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-amine
CID 170139377
N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-3-amine
CID 170139092
3-(9,9-dimethylfluoren-3-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
CID 154972891
N-(4-chrysen-1-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-2-amine
CID 170140156
N-(4-benzo[g]phenanthren-3-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-3-amine
CID 167181893
N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine
CID 170675902
N-(4-chrysen-2-ylphenyl)-9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)fluoren-3-amine
CID 170139772
N-(4-chrysen-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine
CID 170675874
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenanthren-9-ylaniline
CID 166566679
N-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-3-amine
CID 122493599
9,9-dimethyl-N-[4-(6-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 177100656
9,9-dimethyl-2,7-dinaphthalen-2-ylfluorene;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;1,8-diphenylphenanthrene
CID 162212406

Frequently Asked Questions

What is the IUPAC name of N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-3-amine?
The IUPAC name of N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-3-amine (CID 170675865) is N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-3-amine.
What is the SMILES notation for N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-3-amine?
The canonical SMILES for N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc5ccc6c7ccccc7ccc6c5c4)cc3)c3cccc(-c4ccc5ccccc5c4)c3)ccc21.
What is the InChIKey of N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-3-amine?
The InChIKey is XVUZANDYRGQHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39N/c1-55(2)53-17-8-7-16-50(53)52-35-46(28-31-54(52)55)56(45-14-9-13-41(33-45)42-20-18-36-10-3-4-12-40(36)32-42)44-26-22-37(23-27-44)43-21-19-39-25-29-48-47-15-6-5-11-38(47)24-30-49(48)51(39)34-43/h3-35H,1-2H3.
What are the key properties of N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-3-amine?
N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-3-amine has a molecular weight of 713.92 g/mol, XLogP of 15.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-3-amine is sourced from PubChem (CID 170675865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).