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

C44H30Cl2N6 — CID 135212504

IUPAC10-[3-chloro-4-[(8-methylimidazo[1,2-f]phenanthridin-3-yl)amino]phenyl]-N-(2-chlorophenyl)-7-methylimidazo[1,2-f]phenanthridin-3-amine
SMILESCc1ccc2c(c1)c1cc(-c3ccc(Nc4cnc5c6ccccc6c6c(C)cccc6n45)c(Cl)c3)ccc1c1ncc(Nc3ccccc3Cl)n21
InChIInChI=1S/C44H30Cl2N6/c1-25-14-19-38-33(20-25)32-21-27(15-17-31(32)44-48-23-40(51(38)44)49-36-12-6-5-11-34(36)45)28-16-18-37(35(46)22-28)50-41-24-47-43-30-10-4-3-9-29(30)42-26(2)8-7-13-39(42)52(41)43/h3-24,49-50H,1-2H3
InChIKeyGGJZWTSMNBUHAW-UHFFFAOYSA-N
MW713.67 g/mol
LogP12.67
Rot. Bonds5

About 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

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 (PubChem CID 135212504) has the molecular formula C44H30Cl2N6 and a molecular weight of 713.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-[3-chloro-4-[(8-methylimidazo[1,2-f]phenanthridin-3-yl)amino]phenyl]-N-(2-chlorophenyl)-7-methylimidazo[1,2-f]phenanthridin-3-amine
PubChem CID135212504
Molecular FormulaC44H30Cl2N6
Molecular Weight713.67 g/mol
Exact Mass712.19
IUPAC Name10-[3-chloro-4-[(8-methylimidazo[1,2-f]phenanthridin-3-yl)amino]phenyl]-N-(2-chlorophenyl)-7-methylimidazo[1,2-f]phenanthridin-3-amine
SMILESCc1ccc2c(c1)c1cc(-c3ccc(Nc4cnc5c6ccccc6c6c(C)cccc6n45)c(Cl)c3)ccc1c1ncc(Nc3ccccc3Cl)n21
InChIInChI=1S/C44H30Cl2N6/c1-25-14-19-38-33(20-25)32-21-27(15-17-31(32)44-48-23-40(51(38)44)49-36-12-6-5-11-34(36)45)28-16-18-37(35(46)22-28)50-41-24-47-43-30-10-4-3-9-29(30)42-26(2)8-7-13-39(42)52(41)43/h3-24,49-50H,1-2H3
InChIKeyGGJZWTSMNBUHAW-UHFFFAOYSA-N
XLogP12.67
TPSA58.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.67
LogP ≤ 512.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2,6-dimethylphenyl)-7,10-dimethylimidazo[1,2-f]phenanthridine
CID 142744310
N-(2-chlorophenyl)-12-(9,9-dimethylfluoren-4-yl)imidazo[1,2-f]phenanthridin-3-amine
CID 157238286
12,24,29-trimethyl-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21(26),22,24,27,29-pentadecaene
CID 170187647
7-methyl-3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine
CID 58163242
7-methyl-3-(4-methylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine
CID 123439706
2-(3-methylphenyl)triphenylene;2-methyltriphenylene
CID 160536482
2-(3,5-dimethylphenyl)-7-methyltriphenylene
CID 158973424
5-(4-methylphenyl)rubicene
CID 71421562
14-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-3-methylphenyl]-3-methylphenyl]-5-[3-methyl-4-(2-methylphenyl)phenyl]-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 134534645
1-methyl-6,9-diphenylcarbazole;2-methyl-6,9-diphenylcarbazole;3-methyl-6,9-diphenylcarbazole;5-methyl-3,9-diphenylcarbazole;1-(4-methylphenyl)-9-phenylcarbazole
CID 160931079
5-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 59221908
3-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]imidazo[1,2-f]phenanthridine
CID 170530717

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2c(c1)c1cc(-c3ccc(Nc4cnc5c6ccccc6c6c(C)cccc6n45)c(Cl)c3)ccc1c1ncc(Nc3ccccc3Cl)n21.
What is the InChIKey of 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?
The InChIKey is GGJZWTSMNBUHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30Cl2N6/c1-25-14-19-38-33(20-25)32-21-27(15-17-31(32)44-48-23-40(51(38)44)49-36-12-6-5-11-34(36)45)28-16-18-37(35(46)22-28)50-41-24-47-43-30-10-4-3-9-29(30)42-26(2)8-7-13-39(42)52(41)43/h3-24,49-50H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 713.67 g/mol, XLogP of 12.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 135212504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).