2-phenyl-1-[2-(2-phenyl-1H-cyclopenta[c]phenanthren-1-yl)propan-2-yl]-1H-cyclopenta[c]phenanthrene

C49H36 — CID 139962725

IUPAC2-phenyl-1-[2-(2-phenyl-1H-cyclopenta[c]phenanthren-1-yl)propan-2-yl]-1H-cyclopenta[c]phenanthrene
SMILESCC(C)(C1C(c2ccccc2)=Cc2ccc3ccc4ccccc4c3c21)C1C(c2ccccc2)=Cc2ccc3ccc4ccccc4c3c21
InChIInChI=1S/C49H36/c1-49(2,47-41(31-13-5-3-6-14-31)29-37-27-25-35-23-21-33-17-9-11-19-39(33)43(35)45(37)47)48-42(32-15-7-4-8-16-32)30-38-28-26-36-24-22-34-18-10-12-20-40(34)44(36)46(38)48/h3-30,47-48H,1-2H3
InChIKeyOLCBDIDGDJGIEF-UHFFFAOYSA-N
MW624.83 g/mol
LogP13.30
Rot. Bonds4

About 2-phenyl-1-[2-(2-phenyl-1H-cyclopenta[c]phenanthren-1-yl)propan-2-yl]-1H-cyclopenta[c]phenanthrene

2-phenyl-1-[2-(2-phenyl-1H-cyclopenta[c]phenanthren-1-yl)propan-2-yl]-1H-cyclopenta[c]phenanthrene (PubChem CID 139962725) has the molecular formula C49H36 and a molecular weight of 624.83 g/mol. Its IUPAC name is 2-phenyl-1-[2-(2-phenyl-1H-cyclopenta[c]phenanthren-1-yl)propan-2-yl]-1H-cyclopenta[c]phenanthrene.

Molecular Properties

Compound Name2-phenyl-1-[2-(2-phenyl-1H-cyclopenta[c]phenanthren-1-yl)propan-2-yl]-1H-cyclopenta[c]phenanthrene
PubChem CID139962725
Molecular FormulaC49H36
Molecular Weight624.83 g/mol
Exact Mass624.28
IUPAC Name2-phenyl-1-[2-(2-phenyl-1H-cyclopenta[c]phenanthren-1-yl)propan-2-yl]-1H-cyclopenta[c]phenanthrene
SMILESCC(C)(C1C(c2ccccc2)=Cc2ccc3ccc4ccccc4c3c21)C1C(c2ccccc2)=Cc2ccc3ccc4ccccc4c3c21
InChIInChI=1S/C49H36/c1-49(2,47-41(31-13-5-3-6-14-31)29-37-27-25-35-23-21-33-17-9-11-19-39(33)43(35)45(37)47)48-42(32-15-7-4-8-16-32)30-38-28-26-36-24-22-34-18-10-12-20-40(34)44(36)46(38)48/h3-30,47-48H,1-2H3
InChIKeyOLCBDIDGDJGIEF-UHFFFAOYSA-N
XLogP13.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.83
LogP ≤ 513.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-phenyl-1-[2-(2-phenyl-1H-cyclopenta[c]phenanthren-1-yl)propan-2-yl]-1H-cyclopenta[c]phenanthrene 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

2-[1-[2-[2-(furan-2-yl)-1H-cyclopenta[c]phenanthren-1-yl]propan-2-yl]-1H-cyclopenta[c]phenanthren-2-yl]furan
CID 139962742
2-[1-[2-(2-thiophen-2-yl-1H-cyclopenta[c]phenanthren-1-yl)propan-2-yl]-1H-cyclopenta[c]phenanthren-2-yl]thiophene
CID 139962753
17,24-diphenylnonacyclo[24.12.0.02,15.03,12.04,9.016,25.018,23.029,38.032,37]octatriaconta-1(26),2(15),3(12),4,6,8,10,13,16,18,20,22,24,27,29(38),30,32,34,36-nonadecaene
CID 164754288
diphenyl-[1-(2-phenyl-1H-inden-1-yl)naphthalen-2-yl]phosphane
CID 139996216
benzo[c]phenanthrene;tris(triphenylene)
CID 157372160
chrysene;coronene;phenanthrene;5,6,11,12-tetraphenyltetracene
CID 174892643
1,1'-biphenyl;naphthalene;phenanthrene
CID 157410235
16,17-diphenyl-3,5-diazapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1,3,5,7,9,11(19),12,14(18),15-nonaene
CID 122218488
1-[2-(2-phenyl-1H-inden-1-yl)naphthalen-1-yl]ethanone
CID 139946466
1,1'-biphenyl;1,4-diphenylbenzene;ethane;naphthalene;phenanthrene
CID 158841778
benzene;1,4-diphenylbenzene;naphthalene;phenanthrene;pyrene;triphenylene
CID 174918554
2-phenyl-13-phosphapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 135081836

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[2-(2-phenyl-1H-cyclopenta[c]phenanthren-1-yl)propan-2-yl]-1H-cyclopenta[c]phenanthrene?
The IUPAC name of 2-phenyl-1-[2-(2-phenyl-1H-cyclopenta[c]phenanthren-1-yl)propan-2-yl]-1H-cyclopenta[c]phenanthrene (CID 139962725) is 2-phenyl-1-[2-(2-phenyl-1H-cyclopenta[c]phenanthren-1-yl)propan-2-yl]-1H-cyclopenta[c]phenanthrene.
What is the SMILES notation for 2-phenyl-1-[2-(2-phenyl-1H-cyclopenta[c]phenanthren-1-yl)propan-2-yl]-1H-cyclopenta[c]phenanthrene?
The canonical SMILES for 2-phenyl-1-[2-(2-phenyl-1H-cyclopenta[c]phenanthren-1-yl)propan-2-yl]-1H-cyclopenta[c]phenanthrene is CC(C)(C1C(c2ccccc2)=Cc2ccc3ccc4ccccc4c3c21)C1C(c2ccccc2)=Cc2ccc3ccc4ccccc4c3c21.
What is the InChIKey of 2-phenyl-1-[2-(2-phenyl-1H-cyclopenta[c]phenanthren-1-yl)propan-2-yl]-1H-cyclopenta[c]phenanthrene?
The InChIKey is OLCBDIDGDJGIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H36/c1-49(2,47-41(31-13-5-3-6-14-31)29-37-27-25-35-23-21-33-17-9-11-19-39(33)43(35)45(37)47)48-42(32-15-7-4-8-16-32)30-38-28-26-36-24-22-34-18-10-12-20-40(34)44(36)46(38)48/h3-30,47-48H,1-2H3.
What are the key properties of 2-phenyl-1-[2-(2-phenyl-1H-cyclopenta[c]phenanthren-1-yl)propan-2-yl]-1H-cyclopenta[c]phenanthrene?
2-phenyl-1-[2-(2-phenyl-1H-cyclopenta[c]phenanthren-1-yl)propan-2-yl]-1H-cyclopenta[c]phenanthrene has a molecular weight of 624.83 g/mol, XLogP of 13.30, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[2-(2-phenyl-1H-cyclopenta[c]phenanthren-1-yl)propan-2-yl]-1H-cyclopenta[c]phenanthrene is sourced from PubChem (CID 139962725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).