N-(9,9-dimethylfluoren-3-yl)phenanthren-9-amine

C29H23N — CID 134401870

IUPACN-(9,9-dimethylfluoren-3-yl)phenanthren-9-amine
SMILESCC1(C)c2ccccc2-c2cc(Nc3cc4ccccc4c4ccccc34)ccc21
InChIInChI=1S/C29H23N/c1-29(2)26-14-8-7-12-23(26)25-18-20(15-16-27(25)29)30-28-17-19-9-3-4-10-21(19)22-11-5-6-13-24(22)28/h3-18,30H,1-2H3
InChIKeyFNZHTLIVXHIAQA-UHFFFAOYSA-N
MW385.51 g/mol
LogP8.04
Rot. Bonds2

About N-(9,9-dimethylfluoren-3-yl)phenanthren-9-amine

N-(9,9-dimethylfluoren-3-yl)phenanthren-9-amine (PubChem CID 134401870) has the molecular formula C29H23N and a molecular weight of 385.51 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-3-yl)phenanthren-9-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-3-yl)phenanthren-9-amine
PubChem CID134401870
Molecular FormulaC29H23N
Molecular Weight385.51 g/mol
Exact Mass385.18
IUPAC NameN-(9,9-dimethylfluoren-3-yl)phenanthren-9-amine
SMILESCC1(C)c2ccccc2-c2cc(Nc3cc4ccccc4c4ccccc34)ccc21
InChIInChI=1S/C29H23N/c1-29(2)26-14-8-7-12-23(26)25-18-20(15-16-27(25)29)30-28-17-19-9-3-4-10-21(19)22-11-5-6-13-24(22)28/h3-18,30H,1-2H3
InChIKeyFNZHTLIVXHIAQA-UHFFFAOYSA-N
XLogP8.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 58.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(9,9-dimethylfluoren-3-yl)phenanthren-9-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

9-bromophenanthrene;9,9-dimethylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)phenanthren-9-amine
CID 161023443
N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine
CID 164774415
N-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine
CID 168801776
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-3-amine
CID 167230911
9,9-dimethyl-N-(2-methylphenyl)fluoren-3-amine
CID 156636262
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 142567693
N-(9,9-dimethylfluoren-3-yl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-19-amine
CID 118360806
N-(4-tert-butyl-2-phenylphenyl)-9,9-dimethylfluoren-3-amine
CID 164550755
9,9-dimethyl-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)fluoren-3-amine
CID 164550717
3-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 154972890
10,10-dimethylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;ethane
CID 90782904
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 166659129

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-3-yl)phenanthren-9-amine?
The IUPAC name of N-(9,9-dimethylfluoren-3-yl)phenanthren-9-amine (CID 134401870) is N-(9,9-dimethylfluoren-3-yl)phenanthren-9-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-3-yl)phenanthren-9-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-3-yl)phenanthren-9-amine is CC1(C)c2ccccc2-c2cc(Nc3cc4ccccc4c4ccccc34)ccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-3-yl)phenanthren-9-amine?
The InChIKey is FNZHTLIVXHIAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N/c1-29(2)26-14-8-7-12-23(26)25-18-20(15-16-27(25)29)30-28-17-19-9-3-4-10-21(19)22-11-5-6-13-24(22)28/h3-18,30H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-3-yl)phenanthren-9-amine?
N-(9,9-dimethylfluoren-3-yl)phenanthren-9-amine has a molecular weight of 385.51 g/mol, XLogP of 8.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-3-yl)phenanthren-9-amine is sourced from PubChem (CID 134401870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).