di(phenanthren-3-yl)diazene

C28H18N2 — CID 10786148

IUPACdi(phenanthren-3-yl)diazene
SMILESc1ccc2c(c1)ccc1ccc(/N=N/c3ccc4ccc5ccccc5c4c3)cc12
InChIInChI=1S/C28H18N2/c1-3-7-25-19(5-1)9-11-21-13-15-23(17-27(21)25)29-30-24-16-14-22-12-10-20-6-2-4-8-26(20)28(22)18-24/h1-18H/b30-29+
InChIKeyGZXJEIWCBPTASI-QVIHXGFCSA-N
MW382.47 g/mol
LogP8.71
Rot. Bonds2

About di(phenanthren-3-yl)diazene

di(phenanthren-3-yl)diazene (PubChem CID 10786148) has the molecular formula C28H18N2 and a molecular weight of 382.47 g/mol. Its IUPAC name is di(phenanthren-3-yl)diazene.

Molecular Properties

Compound Namedi(phenanthren-3-yl)diazene
PubChem CID10786148
Molecular FormulaC28H18N2
Molecular Weight382.47 g/mol
Exact Mass382.15
IUPAC Namedi(phenanthren-3-yl)diazene
SMILESc1ccc2c(c1)ccc1ccc(/N=N/c3ccc4ccc5ccccc5c4c3)cc12
InChIInChI=1S/C28H18N2/c1-3-7-25-19(5-1)9-11-21-13-15-23(17-27(21)25)29-30-24-16-14-22-12-10-20-6-2-4-8-26(20)28(22)18-24/h1-18H/b30-29+
InChIKeyGZXJEIWCBPTASI-QVIHXGFCSA-N
XLogP8.71
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.47
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

naphtho[1,2-b]phenanthrene
CID 5889
pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 160736098
phenanthrene;phosphane
CID 161431298
phenanthrene;sulfane
CID 159172584
heptacyclo[16.12.0.03,16.04,13.07,12.019,28.022,27]triaconta-1,3(16),4(13),5,7,9,11,14,17,19(28),20,22,24,26,29-pentadecaene
CID 6431039
tris(naphtho[1,2-b]phenanthrene);bis(pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene)
CID 160566024
octacyclo[16.16.0.02,15.04,13.07,12.019,32.022,31.023,28]tetratriaconta-1(18),2,4(13),5,7,9,11,14,16,19(32),20,22(31),23,25,27,29,33-heptadecaene
CID 173096286
heptacyclo[16.12.0.02,15.03,12.04,9.020,29.021,26]triaconta-1(30),2(15),3(12),4,6,8,10,13,16,18,20(29),21,23,25,27-pentadecaene
CID 155637443
anthracene;naphthalene;phenanthrene
CID 158591187
benzo[a]anthracene;hydrobromide
CID 159787028
heptacyclo[16.12.0.02,15.04,13.05,10.019,28.022,27]triaconta-1(18),2(15),3,5,7,9,11,13,16,19(28),20,22,24,26,29-pentadecaene
CID 21088016
CID 157090523
CID 157090523

Frequently Asked Questions

What is the IUPAC name of di(phenanthren-3-yl)diazene?
The IUPAC name of di(phenanthren-3-yl)diazene (CID 10786148) is di(phenanthren-3-yl)diazene.
What is the SMILES notation for di(phenanthren-3-yl)diazene?
The canonical SMILES for di(phenanthren-3-yl)diazene is c1ccc2c(c1)ccc1ccc(/N=N/c3ccc4ccc5ccccc5c4c3)cc12.
What is the InChIKey of di(phenanthren-3-yl)diazene?
The InChIKey is GZXJEIWCBPTASI-QVIHXGFCSA-N. The full InChI is InChI=1S/C28H18N2/c1-3-7-25-19(5-1)9-11-21-13-15-23(17-27(21)25)29-30-24-16-14-22-12-10-20-6-2-4-8-26(20)28(22)18-24/h1-18H/b30-29+.
What are the key properties of di(phenanthren-3-yl)diazene?
di(phenanthren-3-yl)diazene has a molecular weight of 382.47 g/mol, XLogP of 8.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for di(phenanthren-3-yl)diazene is sourced from PubChem (CID 10786148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).