benzo[c]phenanthrene;tris(triphenylene)

C108H72 — CID 157372160

IUPACbenzo[c]phenanthrene;tris(triphenylene)
SMILESc1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)ccc1ccc3ccccc3c12.c1ccc2c(c1)ccc1ccc3ccccc3c12.c1ccc2c(c1)ccc1ccc3ccccc3c12
InChIInChI=1S/6C18H12/c3*1-3-7-16-13(5-1)9-11-15-12-10-14-6-2-4-8-17(14)18(15)16;3*1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18/h6*1-12H
InChIKeyBJWVJSILZFCVDH-UHFFFAOYSA-N
MW1369.76 g/mol
LogP30.88
Rot. Bonds

About benzo[c]phenanthrene;tris(triphenylene)

benzo[c]phenanthrene;tris(triphenylene) (PubChem CID 157372160) has the molecular formula C108H72 and a molecular weight of 1369.76 g/mol. Its IUPAC name is benzo[c]phenanthrene;tris(triphenylene).

Molecular Properties

Compound Namebenzo[c]phenanthrene;tris(triphenylene)
PubChem CID157372160
Molecular FormulaC108H72
Molecular Weight1369.76 g/mol
Exact Mass1368.56
IUPAC Namebenzo[c]phenanthrene;tris(triphenylene)
SMILESc1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)ccc1ccc3ccccc3c12.c1ccc2c(c1)ccc1ccc3ccccc3c12.c1ccc2c(c1)ccc1ccc3ccccc3c12
InChIInChI=1S/6C18H12/c3*1-3-7-16-13(5-1)9-11-15-12-10-14-6-2-4-8-17(14)18(15)16;3*1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18/h6*1-12H
InChIKeyBJWVJSILZFCVDH-UHFFFAOYSA-N
XLogP30.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001369.76
LogP ≤ 530.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

benzo[c]phenanthrene;chrysene
CID 161372898
phenanthrene;pyrene;triphenylene
CID 162115949
heptacyclo[22.6.6.02,7.010,15.018,23.025,30.031,36]hexatriaconta-1(31),2,4,6,8,10,12,14,16,18,20,22,24(36),25,27,29,32,34-octadecaene
CID 59760658
benzo[e]pyrene
CID 9128
chrysene;iron
CID 157379031
chrysene;icosakis(2-methylpropane);perylene;phenanthrene;pyrene;triphenylene
CID 162052721
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
phenanthrene;phosphane
CID 161431298
phenanthrene;sulfane
CID 159172584
ethene;picene
CID 175286520
anthracene;benzene;coronene;naphthalene;perylene;phenanthrene;pyrene;triphenylene
CID 159284619
hexahelicen-1-ol
CID 102137730

Frequently Asked Questions

What is the IUPAC name of benzo[c]phenanthrene;tris(triphenylene)?
The IUPAC name of benzo[c]phenanthrene;tris(triphenylene) (CID 157372160) is benzo[c]phenanthrene;tris(triphenylene).
What is the SMILES notation for benzo[c]phenanthrene;tris(triphenylene)?
The canonical SMILES for benzo[c]phenanthrene;tris(triphenylene) is c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)ccc1ccc3ccccc3c12.c1ccc2c(c1)ccc1ccc3ccccc3c12.c1ccc2c(c1)ccc1ccc3ccccc3c12.
What is the InChIKey of benzo[c]phenanthrene;tris(triphenylene)?
The InChIKey is BJWVJSILZFCVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/6C18H12/c3*1-3-7-16-13(5-1)9-11-15-12-10-14-6-2-4-8-17(14)18(15)16;3*1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18/h6*1-12H.
What are the key properties of benzo[c]phenanthrene;tris(triphenylene)?
benzo[c]phenanthrene;tris(triphenylene) has a molecular weight of 1369.76 g/mol, XLogP of 30.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[c]phenanthrene;tris(triphenylene) is sourced from PubChem (CID 157372160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).