methane;3,9,12,18-tetrazaheptacyclo[18.7.1.02,19.04,17.05,10.011,16.024,28]octacosa-1(27),2,4(17),5(10),6,8,11(16),12,14,18,20,22,24(28),25-tetradecaene

C25H16N4 — CID 157448357

IUPACmethane;3,9,12,18-tetrazaheptacyclo[18.7.1.02,19.04,17.05,10.011,16.024,28]octacosa-1(27),2,4(17),5(10),6,8,11(16),12,14,18,20,22,24(28),25-tetradecaene
SMILESC.c1cc2c3c(cccc3c1)-c1nc3c4cccnc4c4ncccc4c3nc1-2
InChIInChI=1S/C24H12N4.CH4/c1-5-13-6-2-8-15-18(13)14(7-1)21-22(15)28-24-17-10-4-12-26-20(17)19-16(23(24)27-21)9-3-11-25-19;/h1-12H;1H4
InChIKeyBSMOMJYUFPUNSZ-UHFFFAOYSA-N
MW372.43 g/mol
LogP6.16
Rot. Bonds

About methane;3,9,12,18-tetrazaheptacyclo[18.7.1.02,19.04,17.05,10.011,16.024,28]octacosa-1(27),2,4(17),5(10),6,8,11(16),12,14,18,20,22,24(28),25-tetradecaene

methane;3,9,12,18-tetrazaheptacyclo[18.7.1.02,19.04,17.05,10.011,16.024,28]octacosa-1(27),2,4(17),5(10),6,8,11(16),12,14,18,20,22,24(28),25-tetradecaene (PubChem CID 157448357) has the molecular formula C25H16N4 and a molecular weight of 372.43 g/mol. Its IUPAC name is methane;3,9,12,18-tetrazaheptacyclo[18.7.1.02,19.04,17.05,10.011,16.024,28]octacosa-1(27),2,4(17),5(10),6,8,11(16),12,14,18,20,22,24(28),25-tetradecaene.

Molecular Properties

Compound Namemethane;3,9,12,18-tetrazaheptacyclo[18.7.1.02,19.04,17.05,10.011,16.024,28]octacosa-1(27),2,4(17),5(10),6,8,11(16),12,14,18,20,22,24(28),25-tetradecaene
PubChem CID157448357
Molecular FormulaC25H16N4
Molecular Weight372.43 g/mol
Exact Mass372.14
IUPAC Namemethane;3,9,12,18-tetrazaheptacyclo[18.7.1.02,19.04,17.05,10.011,16.024,28]octacosa-1(27),2,4(17),5(10),6,8,11(16),12,14,18,20,22,24(28),25-tetradecaene
SMILESC.c1cc2c3c(cccc3c1)-c1nc3c4cccnc4c4ncccc4c3nc1-2
InChIInChI=1S/C24H12N4.CH4/c1-5-13-6-2-8-15-18(13)14(7-1)21-22(15)28-24-17-10-4-12-26-20(17)19-16(23(24)27-21)9-3-11-25-19;/h1-12H;1H4
InChIKeyBSMOMJYUFPUNSZ-UHFFFAOYSA-N
XLogP6.16
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.43
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methane;3,9,12,18-tetrazaheptacyclo[18.7.1.02,19.04,17.05,10.011,16.024,28]octacosa-1(27),2,4(17),5(10),6,8,11(16),12,14,18,20,22,24(28),25-tetradecaene with MolForge

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Related Compounds

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CID 164779457
quinoxalino[2,3-f][1,7]phenanthroline;quinoxalino[2,3-f][1,10]phenanthroline
CID 118008961
3,5,8,10-tetrazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4,6,8,10,12,14,16(20),17-decaene
CID 155812910
4,10,13,19,23,29,32,38-octazanonacyclo[20.16.0.03,20.05,18.06,11.012,17.024,37.025,30.031,36]octatriaconta-1(22),2,4,6(11),7,9,12(17),13,15,18,20,23,25(30),26,28,31(36),32,34,37-nonadecaene;tetrakis(1,10-phenanthroline);bis(ruthenium(2+));tetrachloride
CID 71762373
osmium;tris(1,10-phenanthroline)
CID 14251798
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CID 122642394
CID 87856781
CID 87856781
benzo[h]quinoline;naphthalene
CID 175017782
naphtho[2,3-f][1,10]phenanthroline
CID 15381524
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CID 146300857
1-benzo[h]quinolin-10-ylnaphthalen-2-ol
CID 166447439
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Frequently Asked Questions

What is the IUPAC name of methane;3,9,12,18-tetrazaheptacyclo[18.7.1.02,19.04,17.05,10.011,16.024,28]octacosa-1(27),2,4(17),5(10),6,8,11(16),12,14,18,20,22,24(28),25-tetradecaene?
The IUPAC name of methane;3,9,12,18-tetrazaheptacyclo[18.7.1.02,19.04,17.05,10.011,16.024,28]octacosa-1(27),2,4(17),5(10),6,8,11(16),12,14,18,20,22,24(28),25-tetradecaene (CID 157448357) is methane;3,9,12,18-tetrazaheptacyclo[18.7.1.02,19.04,17.05,10.011,16.024,28]octacosa-1(27),2,4(17),5(10),6,8,11(16),12,14,18,20,22,24(28),25-tetradecaene.
What is the SMILES notation for methane;3,9,12,18-tetrazaheptacyclo[18.7.1.02,19.04,17.05,10.011,16.024,28]octacosa-1(27),2,4(17),5(10),6,8,11(16),12,14,18,20,22,24(28),25-tetradecaene?
The canonical SMILES for methane;3,9,12,18-tetrazaheptacyclo[18.7.1.02,19.04,17.05,10.011,16.024,28]octacosa-1(27),2,4(17),5(10),6,8,11(16),12,14,18,20,22,24(28),25-tetradecaene is C.c1cc2c3c(cccc3c1)-c1nc3c4cccnc4c4ncccc4c3nc1-2.
What is the InChIKey of methane;3,9,12,18-tetrazaheptacyclo[18.7.1.02,19.04,17.05,10.011,16.024,28]octacosa-1(27),2,4(17),5(10),6,8,11(16),12,14,18,20,22,24(28),25-tetradecaene?
The InChIKey is BSMOMJYUFPUNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12N4.CH4/c1-5-13-6-2-8-15-18(13)14(7-1)21-22(15)28-24-17-10-4-12-26-20(17)19-16(23(24)27-21)9-3-11-25-19;/h1-12H;1H4.
What are the key properties of methane;3,9,12,18-tetrazaheptacyclo[18.7.1.02,19.04,17.05,10.011,16.024,28]octacosa-1(27),2,4(17),5(10),6,8,11(16),12,14,18,20,22,24(28),25-tetradecaene?
methane;3,9,12,18-tetrazaheptacyclo[18.7.1.02,19.04,17.05,10.011,16.024,28]octacosa-1(27),2,4(17),5(10),6,8,11(16),12,14,18,20,22,24(28),25-tetradecaene has a molecular weight of 372.43 g/mol, XLogP of 6.16, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3,9,12,18-tetrazaheptacyclo[18.7.1.02,19.04,17.05,10.011,16.024,28]octacosa-1(27),2,4(17),5(10),6,8,11(16),12,14,18,20,22,24(28),25-tetradecaene is sourced from PubChem (CID 157448357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).