spiro[20,21-diazanonacyclo[15.13.1.14,30.02,15.03,12.05,10.018,25.019,22.027,31]dotriaconta-1,3,5,7,9,11,13,15,17(31),18(25),19(22),20,26,28,30(32)-pentadecaene-23,3'-diazirine]-24-one

C30H12N4O — CID 141078756

IUPACspiro[20,21-diazanonacyclo[15.13.1.14,30.02,15.03,12.05,10.018,25.019,22.027,31]dotriaconta-1,3,5,7,9,11,13,15,17(31),18(25),19(22),20,26,28,30(32)-pentadecaene-23,3'-diazirine]-24-one
SMILESO=C1c2cc3ccc4cc5c6ccccc6cc6ccc7cc(c2C2=C(N=N2)C12N=N2)c3c4c7c65
InChIInChI=1S/C30H12N4O/c35-29-21-12-15-6-8-16-10-19-18-4-2-1-3-13(18)9-14-5-7-17-11-20(23(15)25(16)24(17)22(14)19)26(21)27-28(32-31-27)30(29)33-34-30/h1-12H
InChIKeyQYTQZDWIUGFLAH-UHFFFAOYSA-N
MW444.45 g/mol
LogP7.97
Rot. Bonds

About spiro[20,21-diazanonacyclo[15.13.1.14,30.02,15.03,12.05,10.018,25.019,22.027,31]dotriaconta-1,3,5,7,9,11,13,15,17(31),18(25),19(22),20,26,28,30(32)-pentadecaene-23,3'-diazirine]-24-one

spiro[20,21-diazanonacyclo[15.13.1.14,30.02,15.03,12.05,10.018,25.019,22.027,31]dotriaconta-1,3,5,7,9,11,13,15,17(31),18(25),19(22),20,26,28,30(32)-pentadecaene-23,3'-diazirine]-24-one (PubChem CID 141078756) has the molecular formula C30H12N4O and a molecular weight of 444.45 g/mol. Its IUPAC name is spiro[20,21-diazanonacyclo[15.13.1.14,30.02,15.03,12.05,10.018,25.019,22.027,31]dotriaconta-1,3,5,7,9,11,13,15,17(31),18(25),19(22),20,26,28,30(32)-pentadecaene-23,3'-diazirine]-24-one.

Molecular Properties

Compound Namespiro[20,21-diazanonacyclo[15.13.1.14,30.02,15.03,12.05,10.018,25.019,22.027,31]dotriaconta-1,3,5,7,9,11,13,15,17(31),18(25),19(22),20,26,28,30(32)-pentadecaene-23,3'-diazirine]-24-one
PubChem CID141078756
Molecular FormulaC30H12N4O
Molecular Weight444.45 g/mol
Exact Mass444.10
IUPAC Namespiro[20,21-diazanonacyclo[15.13.1.14,30.02,15.03,12.05,10.018,25.019,22.027,31]dotriaconta-1,3,5,7,9,11,13,15,17(31),18(25),19(22),20,26,28,30(32)-pentadecaene-23,3'-diazirine]-24-one
SMILESO=C1c2cc3ccc4cc5c6ccccc6cc6ccc7cc(c2C2=C(N=N2)C12N=N2)c3c4c7c65
InChIInChI=1S/C30H12N4O/c35-29-21-12-15-6-8-16-10-19-18-4-2-1-3-13(18)9-14-5-7-17-11-20(23(15)25(16)24(17)22(14)19)26(21)27-28(32-31-27)30(29)33-34-30/h1-12H
InChIKeyQYTQZDWIUGFLAH-UHFFFAOYSA-N
XLogP7.97
TPSA66.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.45
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze spiro[20,21-diazanonacyclo[15.13.1.14,30.02,15.03,12.05,10.018,25.019,22.027,31]dotriaconta-1,3,5,7,9,11,13,15,17(31),18(25),19(22),20,26,28,30(32)-pentadecaene-23,3'-diazirine]-24-one 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

decacyclo[19.15.1.12,34.03,12.04,9.013,37.015,20.023,36.026,35.028,33]octatriaconta-1,3(12),4,6,8,13,15,17,19,21(37),22,24,26,28,30,32,34(38),35-octadecaen-10-one
CID 154169269
heptacyclo[14.11.1.02,7.08,28.010,15.018,27.020,25]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene
CID 631772
decacyclo[22.11.1.02,22.03,19.04,12.05,35.06,11.013,18.025,30.032,36]hexatriaconta-1,3(19),4(12),5(35),6,8,10,13,15,17,20,22,24(36),25,27,29,31,33-octadecaene
CID 635064
2-amino-2H-pyranthren-1-one
CID 154082960
hexacyclo[14.7.1.02,7.08,24.09,14.017,22]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaene
CID 21480
nonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2,4,6,8,10,12,15,17(31),18,20,22,24,26,28(32),33-hexadecaene-14,29-dione
CID 177421008
octacyclo[19.7.1.12,6.03,20.04,17.05,14.08,13.025,29]triaconta-1(28),2(30),3(20),4(17),5(14),6,8,10,12,15,18,21,23,25(29),26-pentadecaene
CID 21082965
nonacyclo[14.14.2.02,11.03,8.04,29.012,32.019,31.021,30.022,27]dotriaconta-1(31),2(11),3(8),4,6,9,12,14,16(32),17,19,21(30),22,24,26,28-hexadecaene
CID 21083013
1,2,3,4-tetrabromopyranthrene
CID 87207696
2,3,4,5,6-pentabromo-2H-pyranthren-1-one
CID 154122200
cyclopenta[a]fluorene-1,2-dione
CID 87349541
benzo[a]pyrene;hexacyclo[12.8.0.02,11.03,8.04,21.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene;hexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2,4,6,8(21),9,11(20),12,14(19),15,17-undecaene;naphtho[1,2-b]phenanthrene
CID 165012691

Frequently Asked Questions

What is the IUPAC name of spiro[20,21-diazanonacyclo[15.13.1.14,30.02,15.03,12.05,10.018,25.019,22.027,31]dotriaconta-1,3,5,7,9,11,13,15,17(31),18(25),19(22),20,26,28,30(32)-pentadecaene-23,3'-diazirine]-24-one?
The IUPAC name of spiro[20,21-diazanonacyclo[15.13.1.14,30.02,15.03,12.05,10.018,25.019,22.027,31]dotriaconta-1,3,5,7,9,11,13,15,17(31),18(25),19(22),20,26,28,30(32)-pentadecaene-23,3'-diazirine]-24-one (CID 141078756) is spiro[20,21-diazanonacyclo[15.13.1.14,30.02,15.03,12.05,10.018,25.019,22.027,31]dotriaconta-1,3,5,7,9,11,13,15,17(31),18(25),19(22),20,26,28,30(32)-pentadecaene-23,3'-diazirine]-24-one.
What is the SMILES notation for spiro[20,21-diazanonacyclo[15.13.1.14,30.02,15.03,12.05,10.018,25.019,22.027,31]dotriaconta-1,3,5,7,9,11,13,15,17(31),18(25),19(22),20,26,28,30(32)-pentadecaene-23,3'-diazirine]-24-one?
The canonical SMILES for spiro[20,21-diazanonacyclo[15.13.1.14,30.02,15.03,12.05,10.018,25.019,22.027,31]dotriaconta-1,3,5,7,9,11,13,15,17(31),18(25),19(22),20,26,28,30(32)-pentadecaene-23,3'-diazirine]-24-one is O=C1c2cc3ccc4cc5c6ccccc6cc6ccc7cc(c2C2=C(N=N2)C12N=N2)c3c4c7c65.
What is the InChIKey of spiro[20,21-diazanonacyclo[15.13.1.14,30.02,15.03,12.05,10.018,25.019,22.027,31]dotriaconta-1,3,5,7,9,11,13,15,17(31),18(25),19(22),20,26,28,30(32)-pentadecaene-23,3'-diazirine]-24-one?
The InChIKey is QYTQZDWIUGFLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H12N4O/c35-29-21-12-15-6-8-16-10-19-18-4-2-1-3-13(18)9-14-5-7-17-11-20(23(15)25(16)24(17)22(14)19)26(21)27-28(32-31-27)30(29)33-34-30/h1-12H.
What are the key properties of spiro[20,21-diazanonacyclo[15.13.1.14,30.02,15.03,12.05,10.018,25.019,22.027,31]dotriaconta-1,3,5,7,9,11,13,15,17(31),18(25),19(22),20,26,28,30(32)-pentadecaene-23,3'-diazirine]-24-one?
spiro[20,21-diazanonacyclo[15.13.1.14,30.02,15.03,12.05,10.018,25.019,22.027,31]dotriaconta-1,3,5,7,9,11,13,15,17(31),18(25),19(22),20,26,28,30(32)-pentadecaene-23,3'-diazirine]-24-one has a molecular weight of 444.45 g/mol, XLogP of 7.97, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[20,21-diazanonacyclo[15.13.1.14,30.02,15.03,12.05,10.018,25.019,22.027,31]dotriaconta-1,3,5,7,9,11,13,15,17(31),18(25),19(22),20,26,28,30(32)-pentadecaene-23,3'-diazirine]-24-one is sourced from PubChem (CID 141078756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).