acridine;benzo[f]quinoline;benzo[g]quinoline;benzo[h]quinoline;phenanthridine;quinoline

C74H52N6 — CID 161059130

IUPACacridine;benzo[f]quinoline;benzo[g]quinoline;benzo[h]quinoline;phenanthridine;quinoline
SMILESc1ccc2c(c1)ccc1cccnc12.c1ccc2c(c1)ccc1ncccc12.c1ccc2c(c1)cnc1ccccc12.c1ccc2cc3ncccc3cc2c1.c1ccc2nc3ccccc3cc2c1.c1ccc2ncccc2c1
InChIInChI=1S/5C13H9N.C9H7N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-2-5-11-10(4-1)7-8-13-12(11)6-3-9-14-13;1-2-5-11-9-13-12(6-3-7-14-13)8-10(11)4-1;1-2-6-9-8(4-1)5-3-7-10-9/h5*1-9H;1-7H
InChIKeyUDDVSIUCCXAUGW-UHFFFAOYSA-N
MW1025.27 g/mol
LogP19.17
Rot. Bonds

About acridine;benzo[f]quinoline;benzo[g]quinoline;benzo[h]quinoline;phenanthridine;quinoline

acridine;benzo[f]quinoline;benzo[g]quinoline;benzo[h]quinoline;phenanthridine;quinoline (PubChem CID 161059130) has the molecular formula C74H52N6 and a molecular weight of 1025.27 g/mol. Its IUPAC name is acridine;benzo[f]quinoline;benzo[g]quinoline;benzo[h]quinoline;phenanthridine;quinoline.

Molecular Properties

Compound Nameacridine;benzo[f]quinoline;benzo[g]quinoline;benzo[h]quinoline;phenanthridine;quinoline
PubChem CID161059130
Molecular FormulaC74H52N6
Molecular Weight1025.27 g/mol
Exact Mass1024.43
IUPAC Nameacridine;benzo[f]quinoline;benzo[g]quinoline;benzo[h]quinoline;phenanthridine;quinoline
SMILESc1ccc2c(c1)ccc1cccnc12.c1ccc2c(c1)ccc1ncccc12.c1ccc2c(c1)cnc1ccccc12.c1ccc2cc3ncccc3cc2c1.c1ccc2nc3ccccc3cc2c1.c1ccc2ncccc2c1
InChIInChI=1S/5C13H9N.C9H7N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-2-5-11-10(4-1)7-8-13-12(11)6-3-9-14-13;1-2-5-11-9-13-12(6-3-7-14-13)8-10(11)4-1;1-2-6-9-8(4-1)5-3-7-10-9/h5*1-9H;1-7H
InChIKeyUDDVSIUCCXAUGW-UHFFFAOYSA-N
XLogP19.17
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001025.27
LogP ≤ 519.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

acridine;isoquinoline;phenanthridine;quinoline
CID 159436284
beryllium;benzo[h]quinoline;hydride;quinoline
CID 174631089
1,7-phenanthroline;dihydrochloride
CID 174688507
1,7-phenanthroline;vanadium
CID 174318955
benzo[h]quinoline;naphthalene
CID 175017782
CID 87856781
CID 87856781
phenanthridine
CID 9189
10-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 15831757
benzo[f]quinoline;iodomethane
CID 21121996
benzo[g]pteridine;1,7-phenanthroline
CID 69047537
phenanthridine;platinum(2+)
CID 23616726
methanol;1,7-phenanthroline
CID 174496893

Frequently Asked Questions

What is the IUPAC name of acridine;benzo[f]quinoline;benzo[g]quinoline;benzo[h]quinoline;phenanthridine;quinoline?
The IUPAC name of acridine;benzo[f]quinoline;benzo[g]quinoline;benzo[h]quinoline;phenanthridine;quinoline (CID 161059130) is acridine;benzo[f]quinoline;benzo[g]quinoline;benzo[h]quinoline;phenanthridine;quinoline.
What is the SMILES notation for acridine;benzo[f]quinoline;benzo[g]quinoline;benzo[h]quinoline;phenanthridine;quinoline?
The canonical SMILES for acridine;benzo[f]quinoline;benzo[g]quinoline;benzo[h]quinoline;phenanthridine;quinoline is c1ccc2c(c1)ccc1cccnc12.c1ccc2c(c1)ccc1ncccc12.c1ccc2c(c1)cnc1ccccc12.c1ccc2cc3ncccc3cc2c1.c1ccc2nc3ccccc3cc2c1.c1ccc2ncccc2c1.
What is the InChIKey of acridine;benzo[f]quinoline;benzo[g]quinoline;benzo[h]quinoline;phenanthridine;quinoline?
The InChIKey is UDDVSIUCCXAUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/5C13H9N.C9H7N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-2-5-11-10(4-1)7-8-13-12(11)6-3-9-14-13;1-2-5-11-9-13-12(6-3-7-14-13)8-10(11)4-1;1-2-6-9-8(4-1)5-3-7-10-9/h5*1-9H;1-7H.
What are the key properties of acridine;benzo[f]quinoline;benzo[g]quinoline;benzo[h]quinoline;phenanthridine;quinoline?
acridine;benzo[f]quinoline;benzo[g]quinoline;benzo[h]quinoline;phenanthridine;quinoline has a molecular weight of 1025.27 g/mol, XLogP of 19.17, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acridine;benzo[f]quinoline;benzo[g]quinoline;benzo[h]quinoline;phenanthridine;quinoline is sourced from PubChem (CID 161059130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).