9-(1-anthracen-9-yl-2,3,6,7-tetraphenylcyclopenta[a]inden-4-yl)anthracene;1,4-dinaphthalen-2-yl-2,3,6,7-tetraphenylcyclopenta[a]indene;3-(1-phenanthren-3-yl-2,3,6,7-tetraphenylcyclopenta[a]inden-4-yl)phenanthrene

C184H116 — CID 162049653

IUPAC9-(1-anthracen-9-yl-2,3,6,7-tetraphenylcyclopenta[a]inden-4-yl)anthracene;1,4-dinaphthalen-2-yl-2,3,6,7-tetraphenylcyclopenta[a]indene;3-(1-phenanthren-3-yl-2,3,6,7-tetraphenylcyclopenta[a]inden-4-yl)phenanthrene
SMILESc1ccc(C2=C(c3ccccc3)C(c3c4ccccc4cc4ccccc34)=C3C2=C(c2c4ccccc4cc4ccccc24)c2cc(-c4ccccc4)c(-c4ccccc4)cc23)cc1.c1ccc(C2=C(c3ccccc3)C(c3ccc4ccc5ccccc5c4c3)=C3C2=C(c2ccc4ccc5ccccc5c4c2)c2cc(-c4ccccc4)c(-c4ccccc4)cc23)cc1.c1ccc(C2=C(c3ccccc3)C(c3ccc4ccccc4c3)=C3C2=C(c2ccc4ccccc4c2)c2cc(-c4ccccc4)c(-c4ccccc4)cc23)cc1
InChIInChI=1S/2C64H40.C56H36/c1-5-21-41(22-6-1)53-39-55-56(40-54(53)42-23-7-2-8-24-42)62-63(60-51-35-19-15-31-47(51)38-48-32-16-20-36-52(48)60)57(43-25-9-3-10-26-43)58(44-27-11-4-12-28-44)64(62)61(55)59-49-33-17-13-29-45(49)37-46-30-14-18-34-50(46)59;1-5-17-41(18-6-1)55-39-57-58(40-56(55)42-19-7-2-8-20-42)63-62(50-36-34-46-32-30-44-22-14-16-28-52(44)54(46)38-50)60(47-23-9-3-10-24-47)61(48-25-11-4-12-26-48)64(63)59(57)49-35-33-45-31-29-43-21-13-15-27-51(43)53(45)37-49;1-5-19-39(20-6-1)47-35-49-50(36-48(47)40-21-7-2-8-22-40)55-54(46-32-30-38-18-14-16-28-44(38)34-46)52(41-23-9-3-10-24-41)53(42-25-11-4-12-26-42)56(55)51(49)45-31-29-37-17-13-15-27-43(37)33-45/h2*1-40H;1-36H
InChIKeyYYJNBZFWHIHKOT-UHFFFAOYSA-N
MW2326.95 g/mol
LogP48.65
Rot. Bonds18

About 9-(1-anthracen-9-yl-2,3,6,7-tetraphenylcyclopenta[a]inden-4-yl)anthracene;1,4-dinaphthalen-2-yl-2,3,6,7-tetraphenylcyclopenta[a]indene;3-(1-phenanthren-3-yl-2,3,6,7-tetraphenylcyclopenta[a]inden-4-yl)phenanthrene

9-(1-anthracen-9-yl-2,3,6,7-tetraphenylcyclopenta[a]inden-4-yl)anthracene;1,4-dinaphthalen-2-yl-2,3,6,7-tetraphenylcyclopenta[a]indene;3-(1-phenanthren-3-yl-2,3,6,7-tetraphenylcyclopenta[a]inden-4-yl)phenanthrene (PubChem CID 162049653) has the molecular formula C184H116 and a molecular weight of 2326.95 g/mol. Its IUPAC name is 9-(1-anthracen-9-yl-2,3,6,7-tetraphenylcyclopenta[a]inden-4-yl)anthracene;1,4-dinaphthalen-2-yl-2,3,6,7-tetraphenylcyclopenta[a]indene;3-(1-phenanthren-3-yl-2,3,6,7-tetraphenylcyclopenta[a]inden-4-yl)phenanthrene.

Molecular Properties

Compound Name9-(1-anthracen-9-yl-2,3,6,7-tetraphenylcyclopenta[a]inden-4-yl)anthracene;1,4-dinaphthalen-2-yl-2,3,6,7-tetraphenylcyclopenta[a]indene;3-(1-phenanthren-3-yl-2,3,6,7-tetraphenylcyclopenta[a]inden-4-yl)phenanthrene
PubChem CID162049653
Molecular FormulaC184H116
Molecular Weight2326.95 g/mol
Exact Mass2324.91
IUPAC Name9-(1-anthracen-9-yl-2,3,6,7-tetraphenylcyclopenta[a]inden-4-yl)anthracene;1,4-dinaphthalen-2-yl-2,3,6,7-tetraphenylcyclopenta[a]indene;3-(1-phenanthren-3-yl-2,3,6,7-tetraphenylcyclopenta[a]inden-4-yl)phenanthrene
SMILESc1ccc(C2=C(c3ccccc3)C(c3c4ccccc4cc4ccccc34)=C3C2=C(c2c4ccccc4cc4ccccc24)c2cc(-c4ccccc4)c(-c4ccccc4)cc23)cc1.c1ccc(C2=C(c3ccccc3)C(c3ccc4ccc5ccccc5c4c3)=C3C2=C(c2ccc4ccc5ccccc5c4c2)c2cc(-c4ccccc4)c(-c4ccccc4)cc23)cc1.c1ccc(C2=C(c3ccccc3)C(c3ccc4ccccc4c3)=C3C2=C(c2ccc4ccccc4c2)c2cc(-c4ccccc4)c(-c4ccccc4)cc23)cc1
InChIInChI=1S/2C64H40.C56H36/c1-5-21-41(22-6-1)53-39-55-56(40-54(53)42-23-7-2-8-24-42)62-63(60-51-35-19-15-31-47(51)38-48-32-16-20-36-52(48)60)57(43-25-9-3-10-26-43)58(44-27-11-4-12-28-44)64(62)61(55)59-49-33-17-13-29-45(49)37-46-30-14-18-34-50(46)59;1-5-17-41(18-6-1)55-39-57-58(40-56(55)42-19-7-2-8-20-42)63-62(50-36-34-46-32-30-44-22-14-16-28-52(44)54(46)38-50)60(47-23-9-3-10-24-47)61(48-25-11-4-12-26-48)64(63)59(57)49-35-33-45-31-29-43-21-13-15-27-51(43)53(45)37-49;1-5-19-39(20-6-1)47-35-49-50(36-48(47)40-21-7-2-8-22-40)55-54(46-32-30-38-18-14-16-28-44(38)34-46)52(41-23-9-3-10-24-41)53(42-25-11-4-12-26-42)56(55)51(49)45-31-29-37-17-13-15-27-43(37)33-45/h2*1-40H;1-36H
InChIKeyYYJNBZFWHIHKOT-UHFFFAOYSA-N
XLogP48.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms184
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002326.95
LogP ≤ 548.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 9-(1-anthracen-9-yl-2,3,6,7-tetraphenylcyclopenta[a]inden-4-yl)anthracene;1,4-dinaphthalen-2-yl-2,3,6,7-tetraphenylcyclopenta[a]indene;3-(1-phenanthren-3-yl-2,3,6,7-tetraphenylcyclopenta[a]inden-4-yl)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

1,2,3,4,6,7-hexakis-phenylcyclopenta[a]indene;1-naphthalen-1-yl-2,3,4,6,7-pentakis-phenylcyclopenta[a]indene;1-naphthalen-2-yl-2,3,4,6,7-pentakis-phenylcyclopenta[a]indene
CID 157435557
2-[2,3,6,7-tetraphenyl-1-(7-phenylnaphthalen-2-yl)cyclopenta[a]inden-4-yl]anthracene
CID 123391662
1,4,6,7-tetraphenyl-3-(1-phenylnaphthalen-2-yl)-2-(8-phenylnaphthalen-2-yl)cyclopenta[a]indene
CID 123612784
12-naphthalen-2-yl-24-phenylhexacyclo[11.11.0.02,11.03,8.014,23.015,20]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene
CID 123338519
18-naphthalen-2-yl-19,20,22-triphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene
CID 123148312
1-(2-naphthalen-2-ylphenyl)-2,3,4,6,7-pentakis-phenylcyclopenta[a]indene
CID 123582484
2,3,4,6,7-pentakis-phenyl-1-(5-phenylnaphthalen-2-yl)cyclopenta[a]indene
CID 123933383
2-(2,3,4,6,7-pentakis-phenylcyclopenta[a]inden-1-yl)triphenylene
CID 123878044
2,3,4-tris(3-naphthalen-1-ylphenyl)-1,6,7-triphenylcyclopenta[a]indene
CID 159891346
9-(6,7-diphenylnaphthalen-2-yl)-10-phenanthren-2-ylanthracene
CID 91535853
9-benzo[a]anthracen-9-ylbenzo[a]anthracene
CID 123664298
3-naphthalen-2-yl-1-phenanthren-2-yl-10-phenylanthracene
CID 140776296

Frequently Asked Questions

What is the IUPAC name of 9-(1-anthracen-9-yl-2,3,6,7-tetraphenylcyclopenta[a]inden-4-yl)anthracene;1,4-dinaphthalen-2-yl-2,3,6,7-tetraphenylcyclopenta[a]indene;3-(1-phenanthren-3-yl-2,3,6,7-tetraphenylcyclopenta[a]inden-4-yl)phenanthrene?
The IUPAC name of 9-(1-anthracen-9-yl-2,3,6,7-tetraphenylcyclopenta[a]inden-4-yl)anthracene;1,4-dinaphthalen-2-yl-2,3,6,7-tetraphenylcyclopenta[a]indene;3-(1-phenanthren-3-yl-2,3,6,7-tetraphenylcyclopenta[a]inden-4-yl)phenanthrene (CID 162049653) is 9-(1-anthracen-9-yl-2,3,6,7-tetraphenylcyclopenta[a]inden-4-yl)anthracene;1,4-dinaphthalen-2-yl-2,3,6,7-tetraphenylcyclopenta[a]indene;3-(1-phenanthren-3-yl-2,3,6,7-tetraphenylcyclopenta[a]inden-4-yl)phenanthrene.
What is the SMILES notation for 9-(1-anthracen-9-yl-2,3,6,7-tetraphenylcyclopenta[a]inden-4-yl)anthracene;1,4-dinaphthalen-2-yl-2,3,6,7-tetraphenylcyclopenta[a]indene;3-(1-phenanthren-3-yl-2,3,6,7-tetraphenylcyclopenta[a]inden-4-yl)phenanthrene?
The canonical SMILES for 9-(1-anthracen-9-yl-2,3,6,7-tetraphenylcyclopenta[a]inden-4-yl)anthracene;1,4-dinaphthalen-2-yl-2,3,6,7-tetraphenylcyclopenta[a]indene;3-(1-phenanthren-3-yl-2,3,6,7-tetraphenylcyclopenta[a]inden-4-yl)phenanthrene is c1ccc(C2=C(c3ccccc3)C(c3c4ccccc4cc4ccccc34)=C3C2=C(c2c4ccccc4cc4ccccc24)c2cc(-c4ccccc4)c(-c4ccccc4)cc23)cc1.c1ccc(C2=C(c3ccccc3)C(c3ccc4ccc5ccccc5c4c3)=C3C2=C(c2ccc4ccc5ccccc5c4c2)c2cc(-c4ccccc4)c(-c4ccccc4)cc23)cc1.c1ccc(C2=C(c3ccccc3)C(c3ccc4ccccc4c3)=C3C2=C(c2ccc4ccccc4c2)c2cc(-c4ccccc4)c(-c4ccccc4)cc23)cc1.
What is the InChIKey of 9-(1-anthracen-9-yl-2,3,6,7-tetraphenylcyclopenta[a]inden-4-yl)anthracene;1,4-dinaphthalen-2-yl-2,3,6,7-tetraphenylcyclopenta[a]indene;3-(1-phenanthren-3-yl-2,3,6,7-tetraphenylcyclopenta[a]inden-4-yl)phenanthrene?
The InChIKey is YYJNBZFWHIHKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C64H40.C56H36/c1-5-21-41(22-6-1)53-39-55-56(40-54(53)42-23-7-2-8-24-42)62-63(60-51-35-19-15-31-47(51)38-48-32-16-20-36-52(48)60)57(43-25-9-3-10-26-43)58(44-27-11-4-12-28-44)64(62)61(55)59-49-33-17-13-29-45(49)37-46-30-14-18-34-50(46)59;1-5-17-41(18-6-1)55-39-57-58(40-56(55)42-19-7-2-8-20-42)63-62(50-36-34-46-32-30-44-22-14-16-28-52(44)54(46)38-50)60(47-23-9-3-10-24-47)61(48-25-11-4-12-26-48)64(63)59(57)49-35-33-45-31-29-43-21-13-15-27-51(43)53(45)37-49;1-5-19-39(20-6-1)47-35-49-50(36-48(47)40-21-7-2-8-22-40)55-54(46-32-30-38-18-14-16-28-44(38)34-46)52(41-23-9-3-10-24-41)53(42-25-11-4-12-26-42)56(55)51(49)45-31-29-37-17-13-15-27-43(37)33-45/h2*1-40H;1-36H.
What are the key properties of 9-(1-anthracen-9-yl-2,3,6,7-tetraphenylcyclopenta[a]inden-4-yl)anthracene;1,4-dinaphthalen-2-yl-2,3,6,7-tetraphenylcyclopenta[a]indene;3-(1-phenanthren-3-yl-2,3,6,7-tetraphenylcyclopenta[a]inden-4-yl)phenanthrene?
9-(1-anthracen-9-yl-2,3,6,7-tetraphenylcyclopenta[a]inden-4-yl)anthracene;1,4-dinaphthalen-2-yl-2,3,6,7-tetraphenylcyclopenta[a]indene;3-(1-phenanthren-3-yl-2,3,6,7-tetraphenylcyclopenta[a]inden-4-yl)phenanthrene has a molecular weight of 2326.95 g/mol, XLogP of 48.65, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-anthracen-9-yl-2,3,6,7-tetraphenylcyclopenta[a]inden-4-yl)anthracene;1,4-dinaphthalen-2-yl-2,3,6,7-tetraphenylcyclopenta[a]indene;3-(1-phenanthren-3-yl-2,3,6,7-tetraphenylcyclopenta[a]inden-4-yl)phenanthrene is sourced from PubChem (CID 162049653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).