CID 154611382

C35H20N5O+ — CID 154611382

IUPAC—
SMILES[C+]1=Cc2c(c3ccc(Oc4ccc5c6ccc(-c7ccccc7)cc6n6ccnc6c5c4)cc3c3nccn23)N=C1
InChIInChI=1S/C35H20N5O/c1-2-5-22(6-3-1)23-8-11-27-26-12-9-24(20-29(26)34-37-16-18-40(34)32(27)19-23)41-25-10-13-28-30(21-25)35-38-15-17-39(35)31-7-4-14-36-33(28)31/h1-3,5-21H/q+1
InChIKeyIIQNCWVZIOVGII-UHFFFAOYSA-N
MW526.58 g/mol
LogP8.43
Rot. Bonds3

About CID 154611382

CID 154611382 (PubChem CID 154611382) has the molecular formula C35H20N5O+ and a molecular weight of 526.58 g/mol.

Molecular Properties

Compound NameCID 154611382
PubChem CID154611382
Molecular FormulaC35H20N5O+
Molecular Weight526.58 g/mol
Exact Mass526.17
IUPAC Name—
SMILES[C+]1=Cc2c(c3ccc(Oc4ccc5c6ccc(-c7ccccc7)cc6n6ccnc6c5c4)cc3c3nccn23)N=C1
InChIInChI=1S/C35H20N5O/c1-2-5-22(6-3-1)23-8-11-27-26-12-9-24(20-29(26)34-37-16-18-40(34)32(27)19-23)41-25-10-13-28-30(21-25)35-38-15-17-39(35)31-7-4-14-36-33(28)31/h1-3,5-21H/q+1
InChIKeyIIQNCWVZIOVGII-UHFFFAOYSA-N
XLogP8.43
TPSA56.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.58
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-phenyl-11-(6-phenylimidazo[1,2-f]phenanthridin-11-yl)oxyimidazo[1,2-f]phenanthridine
CID 154610593
9-(6-phenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 154610806
9-(7-phenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 154610709
9-(3,6-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 154610461
11-imidazo[1,2-f]phenanthridin-11-yloxy-5,7-diphenylimidazo[1,2-f]phenanthridine
CID 154611261
16-phenyl-9-[(16-phenyl-2,5,16-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaen-9-yl)oxy]-2,5,16-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene
CID 162487214
9-(6,7-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 154610250
9-(5-phenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,16-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 154610868
9-(2-phenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 163721451
9-imidazo[1,2-f]phenanthridin-11-yloxy-16-thia-2,5-diazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene
CID 162487172
11-(9-pyridin-2-ylcarbazol-2-yl)oxy-6-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine
CID 154610805
9-(5-phenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 154610294

Frequently Asked Questions

What is the IUPAC name of CID 154611382?
The IUPAC name of CID 154611382 (CID 154611382) is not available.
What is the SMILES notation for CID 154611382?
The canonical SMILES for CID 154611382 is [C+]1=Cc2c(c3ccc(Oc4ccc5c6ccc(-c7ccccc7)cc6n6ccnc6c5c4)cc3c3nccn23)N=C1.
What is the InChIKey of CID 154611382?
The InChIKey is IIQNCWVZIOVGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H20N5O/c1-2-5-22(6-3-1)23-8-11-27-26-12-9-24(20-29(26)34-37-16-18-40(34)32(27)19-23)41-25-10-13-28-30(21-25)35-38-15-17-39(35)31-7-4-14-36-33(28)31/h1-3,5-21H/q+1.
What are the key properties of CID 154611382?
CID 154611382 has a molecular weight of 526.58 g/mol, XLogP of 8.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154611382 is sourced from PubChem (CID 154611382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).