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

C152H100 — CID 157435557

IUPAC1,2,3,4,6,7-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
SMILESc1ccc(C2=C(c3ccccc3)C(c3ccc4ccccc4c3)=C3C2=C(c2ccccc2)c2cc(-c4ccccc4)c(-c4ccccc4)cc23)cc1.c1ccc(C2=C(c3ccccc3)C(c3cccc4ccccc34)=C3C2=C(c2ccccc2)c2cc(-c4ccccc4)c(-c4ccccc4)cc23)cc1.c1ccc(C2=C(c3ccccc3)C(c3ccccc3)=C3C2=C(c2ccccc2)c2cc(-c4ccccc4)c(-c4ccccc4)cc23)cc1
InChIInChI=1S/2C52H34.C48H32/c1-6-19-36(20-7-1)43-33-45-46(34-44(43)37-21-8-2-9-22-37)51-50(42-32-18-30-35-23-16-17-31-41(35)42)48(39-26-12-4-13-27-39)49(40-28-14-5-15-29-40)52(51)47(45)38-24-10-3-11-25-38;1-6-19-36(20-7-1)43-33-45-46(34-44(43)37-21-8-2-9-22-37)51-50(42-31-30-35-18-16-17-29-41(35)32-42)48(39-25-12-4-13-26-39)49(40-27-14-5-15-28-40)52(51)47(45)38-23-10-3-11-24-38;1-7-19-33(20-8-1)39-31-41-42(32-40(39)34-21-9-2-10-22-34)47-45(37-27-15-5-16-28-37)44(36-25-13-4-14-26-36)46(38-29-17-6-18-30-38)48(47)43(41)35-23-11-3-12-24-35/h2*1-34H;1-32H
InChIKeyBRBAEECFOQJOAS-UHFFFAOYSA-N
MW1926.47 g/mol
LogP39.42
Rot. Bonds18

About 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

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 (PubChem CID 157435557) has the molecular formula C152H100 and a molecular weight of 1926.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,2,3,4,6,7-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
PubChem CID157435557
Molecular FormulaC152H100
Molecular Weight1926.47 g/mol
Exact Mass1924.78
IUPAC Name1,2,3,4,6,7-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
SMILESc1ccc(C2=C(c3ccccc3)C(c3ccc4ccccc4c3)=C3C2=C(c2ccccc2)c2cc(-c4ccccc4)c(-c4ccccc4)cc23)cc1.c1ccc(C2=C(c3ccccc3)C(c3cccc4ccccc34)=C3C2=C(c2ccccc2)c2cc(-c4ccccc4)c(-c4ccccc4)cc23)cc1.c1ccc(C2=C(c3ccccc3)C(c3ccccc3)=C3C2=C(c2ccccc2)c2cc(-c4ccccc4)c(-c4ccccc4)cc23)cc1
InChIInChI=1S/2C52H34.C48H32/c1-6-19-36(20-7-1)43-33-45-46(34-44(43)37-21-8-2-9-22-37)51-50(42-32-18-30-35-23-16-17-31-41(35)42)48(39-26-12-4-13-27-39)49(40-28-14-5-15-29-40)52(51)47(45)38-24-10-3-11-25-38;1-6-19-36(20-7-1)43-33-45-46(34-44(43)37-21-8-2-9-22-37)51-50(42-31-30-35-18-16-17-29-41(35)32-42)48(39-25-12-4-13-26-39)49(40-27-14-5-15-28-40)52(51)47(45)38-23-10-3-11-24-38;1-7-19-33(20-8-1)39-31-41-42(32-40(39)34-21-9-2-10-22-34)47-45(37-27-15-5-16-28-37)44(36-25-13-4-14-26-36)46(38-29-17-6-18-30-38)48(47)43(41)35-23-11-3-12-24-35/h2*1-34H;1-32H
InChIKeyBRBAEECFOQJOAS-UHFFFAOYSA-N
XLogP39.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms152
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001926.47
LogP ≤ 539.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2,3,4,6,7-pentakis-phenyl-1-(5-phenylnaphthalen-2-yl)cyclopenta[a]indene
CID 123933383
2,3,4-tris(3-naphthalen-1-ylphenyl)-1,6,7-triphenylcyclopenta[a]indene
CID 159891346
1-(2-naphthalen-2-ylphenyl)-2,3,4,6,7-pentakis-phenylcyclopenta[a]indene
CID 123582484
2-[2,3,6,7-tetraphenyl-1-(7-phenylnaphthalen-2-yl)cyclopenta[a]inden-4-yl]anthracene
CID 123391662
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
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
12,24-dinaphthalen-1-ylhexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;N,N-diphenyl-4-(24-phenyl-12-hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaenyl)aniline;12-naphthalen-1-yl-24-naphthalen-2-ylhexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
CID 159612330
1,4,6,7-tetraphenyl-3-(1-phenylnaphthalen-2-yl)-2-(8-phenylnaphthalen-2-yl)cyclopenta[a]indene
CID 123612784
2-(2,3,4,6,7-pentakis-phenylcyclopenta[a]inden-1-yl)triphenylene
CID 123878044
9-naphthalen-2-yl-10-(4-naphthalen-1-yl-3-phenylphenyl)anthracene
CID 58856517
1-[4-[3-(4-naphthalen-2-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]naphthalene
CID 168844837
8-(4-naphthalen-1-yl-6,7-dinaphthalen-2-yl-1-pyridin-2-yl-2-quinolin-8-ylcyclopenta[a]inden-3-yl)quinoline;2-[2,3,7-tris(3-phenylphenyl)-6-(4-phenylphenyl)-1-pyridin-2-ylcyclopenta[a]inden-4-yl]pyridine
CID 158486325

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(C2=C(c3ccccc3)C(c3ccc4ccccc4c3)=C3C2=C(c2ccccc2)c2cc(-c4ccccc4)c(-c4ccccc4)cc23)cc1.c1ccc(C2=C(c3ccccc3)C(c3cccc4ccccc34)=C3C2=C(c2ccccc2)c2cc(-c4ccccc4)c(-c4ccccc4)cc23)cc1.c1ccc(C2=C(c3ccccc3)C(c3ccccc3)=C3C2=C(c2ccccc2)c2cc(-c4ccccc4)c(-c4ccccc4)cc23)cc1.
What is the InChIKey of 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?
The InChIKey is BRBAEECFOQJOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H34.C48H32/c1-6-19-36(20-7-1)43-33-45-46(34-44(43)37-21-8-2-9-22-37)51-50(42-32-18-30-35-23-16-17-31-41(35)42)48(39-26-12-4-13-27-39)49(40-28-14-5-15-29-40)52(51)47(45)38-24-10-3-11-25-38;1-6-19-36(20-7-1)43-33-45-46(34-44(43)37-21-8-2-9-22-37)51-50(42-31-30-35-18-16-17-29-41(35)32-42)48(39-25-12-4-13-26-39)49(40-27-14-5-15-28-40)52(51)47(45)38-23-10-3-11-24-38;1-7-19-33(20-8-1)39-31-41-42(32-40(39)34-21-9-2-10-22-34)47-45(37-27-15-5-16-28-37)44(36-25-13-4-14-26-36)46(38-29-17-6-18-30-38)48(47)43(41)35-23-11-3-12-24-35/h2*1-34H;1-32H.
What are the key properties of 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?
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 has a molecular weight of 1926.47 g/mol, XLogP of 39.42, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157435557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).