bis(5-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene);5-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene;5-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene

C216H136 — CID 160704726

IUPACbis(5-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene);5-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene;5-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene
SMILESc1cc(-c2c3ccccc3c(-c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc23)cc(-c2cc3ccc4ccccc4c3c3ccccc23)c1.c1cc(-c2c3ccccc3c(-c3ccc(-c4cccc5ccccc45)cc3)c3ccccc23)cc(-c2cc3ccc4ccccc4c3c3ccccc23)c1.c1cc(-c2c3ccccc3c(-c3ccc(-c4cccc5ccccc45)cc3)c3ccccc23)cc(-c2cc3ccc4ccccc4c3c3ccccc23)c1.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6cc7ccc8ccccc8c7c7ccccc67)cc5)c5ccccc45)cc3)ccc2c1
InChIInChI=1S/4C54H34/c2*1-3-18-42-35(13-1)15-12-26-43(42)37-27-30-38(31-28-37)52-47-22-7-9-24-49(47)54(50-25-10-8-23-48(50)52)40-17-11-16-39(33-40)51-34-41-32-29-36-14-2-4-19-44(36)53(41)46-21-6-5-20-45(46)51;1-2-14-39-32-40(30-26-35(39)12-1)36-24-28-38(29-25-36)52-47-20-7-9-22-49(47)54(50-23-10-8-21-48(50)52)42-16-11-15-41(33-42)51-34-43-31-27-37-13-3-4-17-44(37)53(43)46-19-6-5-18-45(46)51;1-2-13-41-33-42(31-23-35(41)11-1)36-21-27-39(28-22-36)52-47-17-7-9-19-49(47)53(50-20-10-8-18-48(50)52)40-29-24-38(25-30-40)51-34-43-32-26-37-12-3-4-14-44(37)54(43)46-16-6-5-15-45(46)51/h4*1-34H
InChIKeyRRBOEKZVAYEPBC-UHFFFAOYSA-N
MW2731.46 g/mol
LogP61.10
Rot. Bonds16

About bis(5-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene);5-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene;5-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene

bis(5-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene);5-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene;5-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene (PubChem CID 160704726) has the molecular formula C216H136 and a molecular weight of 2731.46 g/mol. Its IUPAC name is bis(5-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene);5-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene;5-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene.

Molecular Properties

Compound Namebis(5-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene);5-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene;5-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene
PubChem CID160704726
Molecular FormulaC216H136
Molecular Weight2731.46 g/mol
Exact Mass2729.06
IUPAC Namebis(5-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene);5-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene;5-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene
SMILESc1cc(-c2c3ccccc3c(-c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc23)cc(-c2cc3ccc4ccccc4c3c3ccccc23)c1.c1cc(-c2c3ccccc3c(-c3ccc(-c4cccc5ccccc45)cc3)c3ccccc23)cc(-c2cc3ccc4ccccc4c3c3ccccc23)c1.c1cc(-c2c3ccccc3c(-c3ccc(-c4cccc5ccccc45)cc3)c3ccccc23)cc(-c2cc3ccc4ccccc4c3c3ccccc23)c1.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6cc7ccc8ccccc8c7c7ccccc67)cc5)c5ccccc45)cc3)ccc2c1
InChIInChI=1S/4C54H34/c2*1-3-18-42-35(13-1)15-12-26-43(42)37-27-30-38(31-28-37)52-47-22-7-9-24-49(47)54(50-25-10-8-23-48(50)52)40-17-11-16-39(33-40)51-34-41-32-29-36-14-2-4-19-44(36)53(41)46-21-6-5-20-45(46)51;1-2-14-39-32-40(30-26-35(39)12-1)36-24-28-38(29-25-36)52-47-20-7-9-22-49(47)54(50-23-10-8-21-48(50)52)42-16-11-15-41(33-42)51-34-43-31-27-37-13-3-4-17-44(37)53(43)46-19-6-5-18-45(46)51;1-2-13-41-33-42(31-23-35(41)11-1)36-21-27-39(28-22-36)52-47-17-7-9-19-49(47)53(50-20-10-8-18-48(50)52)40-29-24-38(25-30-40)51-34-43-32-26-37-12-3-4-14-44(37)54(43)46-16-6-5-15-45(46)51/h4*1-34H
InChIKeyRRBOEKZVAYEPBC-UHFFFAOYSA-N
XLogP61.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms216
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002731.46
LogP ≤ 561.10
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'}

Analyze bis(5-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene);5-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene;5-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene with MolForge

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Related Compounds

9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9,10-bis(3-naphthalen-2-ylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)anthracene;9,10-bis(4-naphthalen-2-ylphenyl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-(4-phenylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-(4-phenylphenyl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 161131758
9-(4-naphthalen-1-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-2-ylphenyl)phenyl]anthracene
CID 159854260
9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene;9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 157304390
5-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene;5-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzo[c]phenanthrene;5-(10-phenylanthracen-9-yl)benzo[c]phenanthrene;5-[3-(10-phenylanthracen-9-yl)phenyl]benzo[c]phenanthrene;5-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]benzo[c]phenanthrene;5-[10-(2-phenylphenyl)anthracen-9-yl]benzo[c]phenanthrene;5-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene;5-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene
CID 163505407
9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9,10-bis(3-naphthalen-2-ylphenyl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-(4-phenylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-(4-phenylphenyl)anthracene
CID 159387221
5-(3-naphthalen-2-ylphenyl)-8-(4-naphthalen-1-ylphenyl)benzo[c]phenanthrene
CID 59390472
9-(3-naphthalen-2-ylphenyl)-10-[6-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene
CID 123921245
9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-(4-naphthalen-1-ylphenyl)anthracene
CID 58856463
7-(3-naphthalen-1-ylphenyl)-12-(4-naphthalen-2-ylphenyl)benzo[a]anthracene
CID 58535955
9-(4-naphthalen-1-ylphenyl)-10-[3-(6-phenylnaphthalen-2-yl)phenyl]anthracene
CID 58856435
5-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene
CID 58037147
9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)anthracene;9,10-bis(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(3-phenanthren-9-ylphenyl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-phenanthren-9-ylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenanthren-9-ylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenanthren-9-ylanthracene
CID 167623602

Frequently Asked Questions

What is the IUPAC name of bis(5-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene);5-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene;5-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene?
The IUPAC name of bis(5-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene);5-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene;5-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene (CID 160704726) is bis(5-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene);5-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene;5-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene.
What is the SMILES notation for bis(5-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene);5-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene;5-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene?
The canonical SMILES for bis(5-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene);5-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene;5-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene is c1cc(-c2c3ccccc3c(-c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc23)cc(-c2cc3ccc4ccccc4c3c3ccccc23)c1.c1cc(-c2c3ccccc3c(-c3ccc(-c4cccc5ccccc45)cc3)c3ccccc23)cc(-c2cc3ccc4ccccc4c3c3ccccc23)c1.c1cc(-c2c3ccccc3c(-c3ccc(-c4cccc5ccccc45)cc3)c3ccccc23)cc(-c2cc3ccc4ccccc4c3c3ccccc23)c1.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6cc7ccc8ccccc8c7c7ccccc67)cc5)c5ccccc45)cc3)ccc2c1.
What is the InChIKey of bis(5-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene);5-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene;5-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene?
The InChIKey is RRBOEKZVAYEPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/4C54H34/c2*1-3-18-42-35(13-1)15-12-26-43(42)37-27-30-38(31-28-37)52-47-22-7-9-24-49(47)54(50-25-10-8-23-48(50)52)40-17-11-16-39(33-40)51-34-41-32-29-36-14-2-4-19-44(36)53(41)46-21-6-5-20-45(46)51;1-2-14-39-32-40(30-26-35(39)12-1)36-24-28-38(29-25-36)52-47-20-7-9-22-49(47)54(50-23-10-8-21-48(50)52)42-16-11-15-41(33-42)51-34-43-31-27-37-13-3-4-17-44(37)53(43)46-19-6-5-18-45(46)51;1-2-13-41-33-42(31-23-35(41)11-1)36-21-27-39(28-22-36)52-47-17-7-9-19-49(47)53(50-20-10-8-18-48(50)52)40-29-24-38(25-30-40)51-34-43-32-26-37-12-3-4-14-44(37)54(43)46-16-6-5-15-45(46)51/h4*1-34H.
What are the key properties of bis(5-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene);5-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene;5-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene?
bis(5-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene);5-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene;5-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene has a molecular weight of 2731.46 g/mol, XLogP of 61.10, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene);5-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene;5-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene is sourced from PubChem (CID 160704726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).