benzo[e]pyrene;phenazine

C32H20N2 — CID 174928113

IUPACbenzo[e]pyrene;phenazine
SMILESc1ccc2c(c1)c1cccc3ccc4cccc2c4c31.c1ccc2nc3ccccc3nc2c1
InChIInChI=1S/C20H12.C12H8N2/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17;1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-12H;1-8H
InChIKeyFUWBYHDURMEXEC-UHFFFAOYSA-N
MW432.53 g/mol
LogP8.52
Rot. Bonds

About benzo[e]pyrene;phenazine

benzo[e]pyrene;phenazine (PubChem CID 174928113) has the molecular formula C32H20N2 and a molecular weight of 432.53 g/mol. Its IUPAC name is benzo[e]pyrene;phenazine.

Molecular Properties

Compound Namebenzo[e]pyrene;phenazine
PubChem CID174928113
Molecular FormulaC32H20N2
Molecular Weight432.53 g/mol
Exact Mass432.16
IUPAC Namebenzo[e]pyrene;phenazine
SMILESc1ccc2c(c1)c1cccc3ccc4cccc2c4c31.c1ccc2nc3ccccc3nc2c1
InChIInChI=1S/C20H12.C12H8N2/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17;1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-12H;1-8H
InChIKeyFUWBYHDURMEXEC-UHFFFAOYSA-N
XLogP8.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

benzo[e]pyrene
CID 9128
phenanthrene;pyrene;triphenylene
CID 162115949
nonacyclo[14.14.2.02,15.03,12.04,9.05,30.020,32.021,26.027,31]dotriaconta-1(30),2(15),3(12),4(9),5,7,10,13,16,18,20(32),21,23,25,27(31),28-hexadecaene
CID 21087978
benzo[c]phenanthrene;chrysene
CID 161372898
chrysene;icosakis(2-methylpropane);perylene;phenanthrene;pyrene;triphenylene
CID 162052721
heptacyclo[18.6.2.02,15.03,8.09,14.017,27.024,28]octacosa-1(27),2(15),3,5,7,9,11,13,16,18,20(28),21,23,25-tetradecaene
CID 15820916
3-bromobenzo[e]pyrene
CID 12727091
benzo[c]phenanthrene;tris(triphenylene)
CID 157372160
9,10-diazapentacyclo[10.6.2.02,7.08,20.015,19]icosa-1(18),2,4,6,8(20),9,11,13,15(19),16-decaene
CID 154183141
4-phenanthren-9-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene
CID 167410426
heptacyclo[14.10.2.02,11.03,8.012,28.019,27.020,25]octacosa-1(26),2(11),3,5,7,9,12,14,16(28),17,19(27),20,22,24-tetradecaene
CID 15820922
anthracene;benzene;coronene;naphthalene;perylene;phenanthrene;pyrene;triphenylene
CID 159284619

Frequently Asked Questions

What is the IUPAC name of benzo[e]pyrene;phenazine?
The IUPAC name of benzo[e]pyrene;phenazine (CID 174928113) is benzo[e]pyrene;phenazine.
What is the SMILES notation for benzo[e]pyrene;phenazine?
The canonical SMILES for benzo[e]pyrene;phenazine is c1ccc2c(c1)c1cccc3ccc4cccc2c4c31.c1ccc2nc3ccccc3nc2c1.
What is the InChIKey of benzo[e]pyrene;phenazine?
The InChIKey is FUWBYHDURMEXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12.C12H8N2/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17;1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-12H;1-8H.
What are the key properties of benzo[e]pyrene;phenazine?
benzo[e]pyrene;phenazine has a molecular weight of 432.53 g/mol, XLogP of 8.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[e]pyrene;phenazine is sourced from PubChem (CID 174928113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).