12-phenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene

C26H16 — CID 21087845

IUPAC12-phenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene
SMILESc1ccc(-c2cc3c4c(cc5ccccc5c4c2)-c2ccccc2-3)cc1
InChIInChI=1S/C26H16/c1-2-8-17(9-3-1)19-15-23-20-11-5-4-10-18(20)14-24-21-12-6-7-13-22(21)25(16-19)26(23)24/h1-16H
InChIKeyMRFFOVPLXZINDW-UHFFFAOYSA-N
MW328.41 g/mol
LogP7.31
Rot. Bonds1

About 12-phenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene

12-phenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene (PubChem CID 21087845) has the molecular formula C26H16 and a molecular weight of 328.41 g/mol. Its IUPAC name is 12-phenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene.

Molecular Properties

Compound Name12-phenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene
PubChem CID21087845
Molecular FormulaC26H16
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC Name12-phenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene
SMILESc1ccc(-c2cc3c4c(cc5ccccc5c4c2)-c2ccccc2-3)cc1
InChIInChI=1S/C26H16/c1-2-8-17(9-3-1)19-15-23-20-11-5-4-10-18(20)14-24-21-12-6-7-13-22(21)25(16-19)26(23)24/h1-16H
InChIKeyMRFFOVPLXZINDW-UHFFFAOYSA-N
XLogP7.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.41
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 12-phenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene 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

hexacyclo[14.7.1.02,7.08,24.09,14.017,22]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaene
CID 21480
1,3-diphenylphenanthrene
CID 13011098
heptacyclo[14.11.1.02,7.08,28.010,15.018,27.020,25]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene
CID 631772
3-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)fluoranthene
CID 58323659
2,8-diphenylperylene
CID 59642615
2-[6-(6-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-2-ylnaphthalen-2-yl)naphthalen-2-yl]pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene;2-[4-(6-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-2-ylnaphthalen-2-yl)phenyl]pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene
CID 159547349
10-phenanthren-9-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58322811
4-[2-(3-fluoranthen-2-ylphenyl)phenyl]pyridine;2-[3-(3-phenanthren-9-ylphenyl)phenyl]fluoranthene;2-(3-phenylphenyl)fluoranthene
CID 160809603
6-(6-naphthalen-2-ylnaphthalen-2-yl)-11-phenyl-2-oxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9,11,13(21),14,16,18-decaene
CID 90336884
6-phenylheptacyclo[13.11.1.12,10.04,9.017,22.023,27.014,28]octacosa-1(26),2(28),3,5,7,9,11,13,15,17,19,21,23(27),24-tetradecaene
CID 59642860
N-[4-(4-phenanthren-9-yl-3-phenylphenyl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 167003698
9-(3-methyl-5-phenylphenyl)phenanthrene
CID 156682596

Frequently Asked Questions

What is the IUPAC name of 12-phenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene?
The IUPAC name of 12-phenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene (CID 21087845) is 12-phenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene.
What is the SMILES notation for 12-phenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene?
The canonical SMILES for 12-phenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene is c1ccc(-c2cc3c4c(cc5ccccc5c4c2)-c2ccccc2-3)cc1.
What is the InChIKey of 12-phenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene?
The InChIKey is MRFFOVPLXZINDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16/c1-2-8-17(9-3-1)19-15-23-20-11-5-4-10-18(20)14-24-21-12-6-7-13-22(21)25(16-19)26(23)24/h1-16H.
What are the key properties of 12-phenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene?
12-phenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene has a molecular weight of 328.41 g/mol, XLogP of 7.31, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12-phenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene is sourced from PubChem (CID 21087845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).