rubicene-5,12-diamine

C26H16N2 — CID 15635222

IUPACrubicene-5,12-diamine
SMILESNc1ccc2c(c1)c1cccc3c1c2c1cccc2c4cc(N)ccc4c3c21
InChIInChI=1S/C26H16N2/c27-13-7-9-17-21(11-13)15-3-1-5-19-23(15)26(17)20-6-2-4-16-22-12-14(28)8-10-18(22)25(19)24(16)20/h1-12H,27-28H2
InChIKeyVWIRRZRXGUJTPD-UHFFFAOYSA-N
MW356.43 g/mol
LogP6.65
Rot. Bonds

About rubicene-5,12-diamine

rubicene-5,12-diamine (PubChem CID 15635222) has the molecular formula C26H16N2 and a molecular weight of 356.43 g/mol. Its IUPAC name is rubicene-5,12-diamine.

Molecular Properties

Compound Namerubicene-5,12-diamine
PubChem CID15635222
Molecular FormulaC26H16N2
Molecular Weight356.43 g/mol
Exact Mass356.13
IUPAC Namerubicene-5,12-diamine
SMILESNc1ccc2c(c1)c1cccc3c1c2c1cccc2c4cc(N)ccc4c3c21
InChIInChI=1S/C26H16N2/c27-13-7-9-17-21(11-13)15-3-1-5-19-23(15)26(17)20-6-2-4-16-22-12-14(28)8-10-18(22)25(19)24(16)20/h1-12H,27-28H2
InChIKeyVWIRRZRXGUJTPD-UHFFFAOYSA-N
XLogP6.65
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 56.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

anthracene-2,9,10-triamine
CID 46872427
tridecacyclo[26.12.2.25,8.19,13.129,33.02,24.04,22.06,21.07,18.025,41.038,42.017,44.037,43]hexatetraconta-1(41),2(24),3,5,7,9,11,13(44),14,16,18,20,22,25,27,29,31,33(43),34,36,38(42),39,45-tricosaene
CID 123956616
5,12-dimethoxyrubicene
CID 10667865
decacyclo[19.13.1.122,26.02,7.03,20.04,17.05,14.06,11.031,35.030,36]hexatriaconta-1(34),2,4(17),5(14),6(11),7,9,12,15,18,20,22,24,26(36),27,29,31(35),32-octadecaene
CID 14087516
12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaen-5-amine
CID 176729847
benzene-1,3-diamine
CID 7935
2-aminopyrene-4,5,9,10-tetracarbaldehyde
CID 174701853
heptadecacyclo[28.20.2.22,5.26,9.231,34.110,14.135,39.03,26.04,23.07,22.08,19.027,51.032,47.033,44.048,52.018,56.043,53]hexaconta-1(51),2,4,6,8,10,12,14(56),15,17,19,21,23,25,27,29,31(55),32(47),33(44),34(54),35,37,39(53),40,42,45,48(52),49,57,59-triacontaene
CID 86057292
heptadecacyclo[36.16.0.02,7.06,15.08,37.09,14.010,35.011,28.012,25.013,18.019,24.029,34.033,42.036,41.039,52.040,45.046,51]tetrapentaconta-1,3,5,7,9,11(28),12(25),13(18),14,16,19,21,23,26,29,31,33(42),34,36(41),37,39(52),40(45),43,46,48,50,53-heptacosaene
CID 11814412
benzene-1,3-diamine;naphthalene-1,5-diamine
CID 139435132
4-(4-amino-2-triphenylen-2-ylphenyl)-3-triphenylen-2-ylaniline
CID 87258895
naphthalene-1,6-diamine;naphthalene-1,8-diamine
CID 158469220

Frequently Asked Questions

What is the IUPAC name of rubicene-5,12-diamine?
The IUPAC name of rubicene-5,12-diamine (CID 15635222) is rubicene-5,12-diamine.
What is the SMILES notation for rubicene-5,12-diamine?
The canonical SMILES for rubicene-5,12-diamine is Nc1ccc2c(c1)c1cccc3c1c2c1cccc2c4cc(N)ccc4c3c21.
What is the InChIKey of rubicene-5,12-diamine?
The InChIKey is VWIRRZRXGUJTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N2/c27-13-7-9-17-21(11-13)15-3-1-5-19-23(15)26(17)20-6-2-4-16-22-12-14(28)8-10-18(22)25(19)24(16)20/h1-12H,27-28H2.
What are the key properties of rubicene-5,12-diamine?
rubicene-5,12-diamine has a molecular weight of 356.43 g/mol, XLogP of 6.65, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for rubicene-5,12-diamine is sourced from PubChem (CID 15635222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).