N-(2-chlorophenyl)-12-(9,9-dimethylfluoren-4-yl)imidazo[1,2-f]phenanthridin-3-amine

C36H26ClN3 — CID 157238286

IUPACN-(2-chlorophenyl)-12-(9,9-dimethylfluoren-4-yl)imidazo[1,2-f]phenanthridin-3-amine
SMILESCC1(C)c2ccccc2-c2c(-c3cccc4c5ccccc5n5c(Nc6ccccc6Cl)cnc5c34)cccc21
InChIInChI=1S/C36H26ClN3/c1-36(2)27-16-5-3-12-26(27)33-24(15-10-17-28(33)36)25-14-9-13-23-22-11-4-8-20-31(22)40-32(21-38-35(40)34(23)25)39-30-19-7-6-18-29(30)37/h3-21,39H,1-2H3
InChIKeyAUXCJYSKWOYUPZ-UHFFFAOYSA-N
MW536.08 g/mol
LogP10.01
Rot. Bonds3

About N-(2-chlorophenyl)-12-(9,9-dimethylfluoren-4-yl)imidazo[1,2-f]phenanthridin-3-amine

N-(2-chlorophenyl)-12-(9,9-dimethylfluoren-4-yl)imidazo[1,2-f]phenanthridin-3-amine (PubChem CID 157238286) has the molecular formula C36H26ClN3 and a molecular weight of 536.08 g/mol. Its IUPAC name is N-(2-chlorophenyl)-12-(9,9-dimethylfluoren-4-yl)imidazo[1,2-f]phenanthridin-3-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-12-(9,9-dimethylfluoren-4-yl)imidazo[1,2-f]phenanthridin-3-amine
PubChem CID157238286
Molecular FormulaC36H26ClN3
Molecular Weight536.08 g/mol
Exact Mass535.18
IUPAC NameN-(2-chlorophenyl)-12-(9,9-dimethylfluoren-4-yl)imidazo[1,2-f]phenanthridin-3-amine
SMILESCC1(C)c2ccccc2-c2c(-c3cccc4c5ccccc5n5c(Nc6ccccc6Cl)cnc5c34)cccc21
InChIInChI=1S/C36H26ClN3/c1-36(2)27-16-5-3-12-26(27)33-24(15-10-17-28(33)36)25-14-9-13-23-22-11-4-8-20-31(22)40-32(21-38-35(40)34(23)25)39-30-19-7-6-18-29(30)37/h3-21,39H,1-2H3
InChIKeyAUXCJYSKWOYUPZ-UHFFFAOYSA-N
XLogP10.01
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.08
LogP ≤ 510.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-chlorophenyl)-12-(9,9-dimethylfluoren-4-yl)imidazo[1,2-f]phenanthridin-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

3-(9,9-dimethylfluoren-4-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2(7),3,5,8,10,12,15(23),17,19,21-undecaene
CID 135212267
10-[3-chloro-4-[(8-methylimidazo[1,2-f]phenanthridin-3-yl)amino]phenyl]-N-(2-chlorophenyl)-7-methylimidazo[1,2-f]phenanthridin-3-amine
CID 135212504
4-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluorene
CID 166563569
14,14,36,36-tetramethyl-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.08,13.028,40.029,37.030,35.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),8,10,12,16,19(46),20,22,25,28(40),29(37),30,32,34,38,41(45),42-henicosaene
CID 138745246
16-[4-(9,9-dimethylfluoren-4-yl)phenyl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene
CID 135212432
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-10-phenylanthracen-9-amine
CID 90128163
3-(9,9-dimethylfluoren-4-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene
CID 147491263
20-[4-(9,9-dimethylfluoren-4-yl)phenyl]-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene
CID 134580551
14,14-dimethyl-9-pyrimidin-2-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118502300
12,12,28,28-tetramethyl-1-azanonacyclo[17.13.1.02,14.05,13.06,11.015,33.020,32.021,29.022,27]tritriaconta-2(14),3,5(13),6,8,10,15,17,19(33),20(32),21(29),22,24,26,30-pentadecaene
CID 146376227
4-[2-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58986993
28,28-dimethyl-12-phenyl-1,12-diazanonacyclo[17.13.1.02,14.05,13.06,11.015,33.020,32.021,29.022,27]tritriaconta-2(14),3,5(13),6,8,10,15,17,19(33),20(32),21(29),22,24,26,30-pentadecaene
CID 146376237

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-12-(9,9-dimethylfluoren-4-yl)imidazo[1,2-f]phenanthridin-3-amine?
The IUPAC name of N-(2-chlorophenyl)-12-(9,9-dimethylfluoren-4-yl)imidazo[1,2-f]phenanthridin-3-amine (CID 157238286) is N-(2-chlorophenyl)-12-(9,9-dimethylfluoren-4-yl)imidazo[1,2-f]phenanthridin-3-amine.
What is the SMILES notation for N-(2-chlorophenyl)-12-(9,9-dimethylfluoren-4-yl)imidazo[1,2-f]phenanthridin-3-amine?
The canonical SMILES for N-(2-chlorophenyl)-12-(9,9-dimethylfluoren-4-yl)imidazo[1,2-f]phenanthridin-3-amine is CC1(C)c2ccccc2-c2c(-c3cccc4c5ccccc5n5c(Nc6ccccc6Cl)cnc5c34)cccc21.
What is the InChIKey of N-(2-chlorophenyl)-12-(9,9-dimethylfluoren-4-yl)imidazo[1,2-f]phenanthridin-3-amine?
The InChIKey is AUXCJYSKWOYUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26ClN3/c1-36(2)27-16-5-3-12-26(27)33-24(15-10-17-28(33)36)25-14-9-13-23-22-11-4-8-20-31(22)40-32(21-38-35(40)34(23)25)39-30-19-7-6-18-29(30)37/h3-21,39H,1-2H3.
What are the key properties of N-(2-chlorophenyl)-12-(9,9-dimethylfluoren-4-yl)imidazo[1,2-f]phenanthridin-3-amine?
N-(2-chlorophenyl)-12-(9,9-dimethylfluoren-4-yl)imidazo[1,2-f]phenanthridin-3-amine has a molecular weight of 536.08 g/mol, XLogP of 10.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-12-(9,9-dimethylfluoren-4-yl)imidazo[1,2-f]phenanthridin-3-amine is sourced from PubChem (CID 157238286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).