4-(2-methyl-3-phenylimidazo[1,2-f]phenanthridin-11-yl)oxy-13,13-diphenyl-1,18-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene

C52H34N4O — CID 163509212

IUPAC4-(2-methyl-3-phenylimidazo[1,2-f]phenanthridin-11-yl)oxy-13,13-diphenyl-1,18-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene
SMILESCc1nc2c3cc(Oc4ccc5c6cccc7c6n(c5c4)-c4ncccc4C7(c4ccccc4)c4ccccc4)ccc3c3ccccc3n2c1-c1ccccc1
InChIInChI=1S/C52H34N4O/c1-33-48(34-15-5-2-6-16-34)55-46-25-12-11-21-40(46)39-28-26-37(31-43(39)50(55)54-33)57-38-27-29-41-42-22-13-23-44-49(42)56(47(41)32-38)51-45(24-14-30-53-51)52(44,35-17-7-3-8-18-35)36-19-9-4-10-20-36/h2-32H,1H3
InChIKeyBUOFQAWGCJDUNJ-UHFFFAOYSA-N
MW730.87 g/mol
LogP12.60
Rot. Bonds5

About 4-(2-methyl-3-phenylimidazo[1,2-f]phenanthridin-11-yl)oxy-13,13-diphenyl-1,18-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene

4-(2-methyl-3-phenylimidazo[1,2-f]phenanthridin-11-yl)oxy-13,13-diphenyl-1,18-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene (PubChem CID 163509212) has the molecular formula C52H34N4O and a molecular weight of 730.87 g/mol. Its IUPAC name is 4-(2-methyl-3-phenylimidazo[1,2-f]phenanthridin-11-yl)oxy-13,13-diphenyl-1,18-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene.

Molecular Properties

Compound Name4-(2-methyl-3-phenylimidazo[1,2-f]phenanthridin-11-yl)oxy-13,13-diphenyl-1,18-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene
PubChem CID163509212
Molecular FormulaC52H34N4O
Molecular Weight730.87 g/mol
Exact Mass730.27
IUPAC Name4-(2-methyl-3-phenylimidazo[1,2-f]phenanthridin-11-yl)oxy-13,13-diphenyl-1,18-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene
SMILESCc1nc2c3cc(Oc4ccc5c6cccc7c6n(c5c4)-c4ncccc4C7(c4ccccc4)c4ccccc4)ccc3c3ccccc3n2c1-c1ccccc1
InChIInChI=1S/C52H34N4O/c1-33-48(34-15-5-2-6-16-34)55-46-25-12-11-21-40(46)39-28-26-37(31-43(39)50(55)54-33)57-38-27-29-41-42-22-13-23-44-49(42)56(47(41)32-38)51-45(24-14-30-53-51)52(44,35-17-7-3-8-18-35)36-19-9-4-10-20-36/h2-32H,1H3
InChIKeyBUOFQAWGCJDUNJ-UHFFFAOYSA-N
XLogP12.60
TPSA44.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.87
LogP ≤ 512.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(2-methyl-3-phenylimidazo[1,2-f]phenanthridin-11-yl)oxy-13,13-diphenyl-1,18-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene 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

13-[(13,13-diphenyl-1,18-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-4-yl)oxy]-21-phenyl-2,9,21-triazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.022,27]octacosa-1(17),3,5,7,9,11(16),12,14,18,20(28),22,24,26-tridecaene
CID 162487052
9-(2,3-dimethylimidazo[1,2-f]phenanthridin-11-yl)oxy-3,4-dimethyl-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 163465409
9-[9-(3-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-3,4-diphenyl-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 163565624
6-tert-butyl-16-(2,3-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13(18),14,16-nonaene
CID 163966434
9-[(3,4-dimethyl-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaen-9-yl)oxy]-3,4-diphenyl-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 163782599
3,4-diphenyl-9-(3-pyrido[2,3-b]indol-9-ylphenoxy)-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 163485518
12,12,13,13-tetramethyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxy-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2(7),3,5,8,10,14,16-octaene
CID 172504692
11-imidazo[1,2-f]phenanthridin-11-yloxy-2,3-dimethylimidazo[1,2-f]phenanthridine
CID 163873412
CID 163732158
CID 163732158
9-(2,3-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-4-(2,4,6-trimethylphenyl)-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 163789384
12-tert-butyl-4-(9-pyridin-2-ylcarbazol-2-yl)oxy-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene
CID 154610968
13-(3-imidazo[1,2-f]phenanthridin-11-yloxyphenyl)-5,5-dimethyl-12-phenyl-1,8-naphthyridino[2,3-a]carbazole
CID 140951586

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-3-phenylimidazo[1,2-f]phenanthridin-11-yl)oxy-13,13-diphenyl-1,18-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene?
The IUPAC name of 4-(2-methyl-3-phenylimidazo[1,2-f]phenanthridin-11-yl)oxy-13,13-diphenyl-1,18-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene (CID 163509212) is 4-(2-methyl-3-phenylimidazo[1,2-f]phenanthridin-11-yl)oxy-13,13-diphenyl-1,18-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene.
What is the SMILES notation for 4-(2-methyl-3-phenylimidazo[1,2-f]phenanthridin-11-yl)oxy-13,13-diphenyl-1,18-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene?
The canonical SMILES for 4-(2-methyl-3-phenylimidazo[1,2-f]phenanthridin-11-yl)oxy-13,13-diphenyl-1,18-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene is Cc1nc2c3cc(Oc4ccc5c6cccc7c6n(c5c4)-c4ncccc4C7(c4ccccc4)c4ccccc4)ccc3c3ccccc3n2c1-c1ccccc1.
What is the InChIKey of 4-(2-methyl-3-phenylimidazo[1,2-f]phenanthridin-11-yl)oxy-13,13-diphenyl-1,18-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene?
The InChIKey is BUOFQAWGCJDUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4O/c1-33-48(34-15-5-2-6-16-34)55-46-25-12-11-21-40(46)39-28-26-37(31-43(39)50(55)54-33)57-38-27-29-41-42-22-13-23-44-49(42)56(47(41)32-38)51-45(24-14-30-53-51)52(44,35-17-7-3-8-18-35)36-19-9-4-10-20-36/h2-32H,1H3.
What are the key properties of 4-(2-methyl-3-phenylimidazo[1,2-f]phenanthridin-11-yl)oxy-13,13-diphenyl-1,18-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene?
4-(2-methyl-3-phenylimidazo[1,2-f]phenanthridin-11-yl)oxy-13,13-diphenyl-1,18-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene has a molecular weight of 730.87 g/mol, XLogP of 12.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-3-phenylimidazo[1,2-f]phenanthridin-11-yl)oxy-13,13-diphenyl-1,18-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene is sourced from PubChem (CID 163509212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).