6-[2-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-2,4,6,8,11,13(18),14,16-octaenyl)phenyl]pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaene

C42H24 — CID 59845257

IUPAC6-[2-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-2,4,6,8,11,13(18),14,16-octaenyl)phenyl]pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaene
SMILESC1=CC2C=Cc3c(-c4ccccc4-c4ccc5c6c4ccc4ccc7cccc-5c7c46)ccc4c3C2c2c1cccc2-4
InChIInChI=1S/C42H24/c1-2-8-28(30-20-22-36-32-10-4-6-24-12-14-26-16-18-34(30)42(36)40(26)38(24)32)27(7-1)29-19-21-35-31-9-3-5-23-11-13-25-15-17-33(29)41(35)39(25)37(23)31/h1-22,25,39H
InChIKeyQPDBCEYPZZAMGW-UHFFFAOYSA-N
MW528.65 g/mol
LogP11.24
Rot. Bonds2

About 6-[2-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-2,4,6,8,11,13(18),14,16-octaenyl)phenyl]pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaene

6-[2-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-2,4,6,8,11,13(18),14,16-octaenyl)phenyl]pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaene (PubChem CID 59845257) has the molecular formula C42H24 and a molecular weight of 528.65 g/mol. Its IUPAC name is 6-[2-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-2,4,6,8,11,13(18),14,16-octaenyl)phenyl]pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaene.

Molecular Properties

Compound Name6-[2-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-2,4,6,8,11,13(18),14,16-octaenyl)phenyl]pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaene
PubChem CID59845257
Molecular FormulaC42H24
Molecular Weight528.65 g/mol
Exact Mass528.19
IUPAC Name6-[2-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-2,4,6,8,11,13(18),14,16-octaenyl)phenyl]pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaene
SMILESC1=CC2C=Cc3c(-c4ccccc4-c4ccc5c6c4ccc4ccc7cccc-5c7c46)ccc4c3C2c2c1cccc2-4
InChIInChI=1S/C42H24/c1-2-8-28(30-20-22-36-32-10-4-6-24-12-14-26-16-18-34(30)42(36)40(26)38(24)32)27(7-1)29-19-21-35-31-9-3-5-23-11-13-25-15-17-33(29)41(35)39(25)37(23)31/h1-22,25,39H
InChIKeyQPDBCEYPZZAMGW-UHFFFAOYSA-N
XLogP11.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.65
LogP ≤ 511.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6-[2-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-2,4,6,8,11,13(18),14,16-octaenyl)phenyl]pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[5-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)naphthalen-1-yl]pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaene
CID 59845176
N-[4-[2-(19-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,8,10,12,14,16,18,20,22,25,27-tridecaenyl)phenyl]phenyl]-N,4-diphenylaniline
CID 167413130
3-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 59845177
7-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)hexacyclo[12.8.0.02,11.03,8.04,22.016,21]docosa-1(22),2(11),3,5,7,9,12,14,16,18,20-undecaene
CID 142347629
1-[3-[4-[3-(8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-[3-[4-[3-(6-naphthalen-1-yl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-[3-[4-[3-(6-phenyl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-phenyl-6-[3-[4-[3-(6-phenyl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene
CID 167626883
1-(1,5-dinaphthalen-1-yl-10-pyren-1-ylanthracen-9-yl)pyrene
CID 143933798
hexacyclo[12.8.0.02,7.03,21.08,13.017,22]docosa-1(14),2(7),3,5,8,10,12,15,17(22),18,20-undecaene
CID 21087955
4-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)quinoline
CID 59845165
1-naphthalen-1-yl-6-[6-[6-(2-phenylphenyl)pyren-1-yl]pyren-1-yl]pyrene
CID 58908206
1-[2-(2-naphthalen-1-yl-5-pyren-1-ylphenyl)phenyl]pyrene
CID 169303134
1,8-di(pyren-1-yl)pyrene
CID 58915622
1-(4-fluoranthen-1-ylnaphthalen-1-yl)fluoranthene
CID 139892613

Frequently Asked Questions

What is the IUPAC name of 6-[2-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-2,4,6,8,11,13(18),14,16-octaenyl)phenyl]pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaene?
The IUPAC name of 6-[2-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-2,4,6,8,11,13(18),14,16-octaenyl)phenyl]pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaene (CID 59845257) is 6-[2-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-2,4,6,8,11,13(18),14,16-octaenyl)phenyl]pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaene.
What is the SMILES notation for 6-[2-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-2,4,6,8,11,13(18),14,16-octaenyl)phenyl]pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaene?
The canonical SMILES for 6-[2-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-2,4,6,8,11,13(18),14,16-octaenyl)phenyl]pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaene is C1=CC2C=Cc3c(-c4ccccc4-c4ccc5c6c4ccc4ccc7cccc-5c7c46)ccc4c3C2c2c1cccc2-4.
What is the InChIKey of 6-[2-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-2,4,6,8,11,13(18),14,16-octaenyl)phenyl]pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaene?
The InChIKey is QPDBCEYPZZAMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24/c1-2-8-28(30-20-22-36-32-10-4-6-24-12-14-26-16-18-34(30)42(36)40(26)38(24)32)27(7-1)29-19-21-35-31-9-3-5-23-11-13-25-15-17-33(29)41(35)39(25)37(23)31/h1-22,25,39H.
What are the key properties of 6-[2-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-2,4,6,8,11,13(18),14,16-octaenyl)phenyl]pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaene?
6-[2-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-2,4,6,8,11,13(18),14,16-octaenyl)phenyl]pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaene has a molecular weight of 528.65 g/mol, XLogP of 11.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-2,4,6,8,11,13(18),14,16-octaenyl)phenyl]pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaene is sourced from PubChem (CID 59845257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).