9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene;9-[4-(2,2-diphenylethenyl)phenyl]-10-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]anthracene

C122H84 — CID 158494908

IUPAC9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene;9-[4-(2,2-diphenylethenyl)phenyl]-10-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]anthracene
SMILESC(=C(c1ccccc1)c1ccccc1)c1ccc(-c2c3ccccc3c(-c3c4ccccc4c(-c4ccc(C=C(c5ccccc5)c5ccccc5)cc4)c4ccccc34)c3ccccc23)cc1.C(=C(c1ccccc1)c1ccccc1)c1ccc(-c2c3ccccc3c(-c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)c3ccccc23)cc1
InChIInChI=1S/C68H46.C54H38/c1-5-21-49(22-6-1)63(50-23-7-2-8-24-50)45-47-37-41-53(42-38-47)65-55-29-13-17-33-59(55)67(60-34-18-14-30-56(60)65)68-61-35-19-15-31-57(61)66(58-32-16-20-36-62(58)68)54-43-39-48(40-44-54)46-64(51-25-9-3-10-26-51)52-27-11-4-12-28-52;1-5-17-41(18-6-1)51(42-19-7-2-8-20-42)37-39-29-33-45(34-30-39)53-47-25-13-15-27-49(47)54(50-28-16-14-26-48(50)53)46-35-31-40(32-36-46)38-52(43-21-9-3-10-22-43)44-23-11-4-12-24-44/h1-46H;1-38H
InChIKeyHJDRBJBPTASCOM-UHFFFAOYSA-N
MW1550.01 g/mol
LogP32.98
Rot. Bonds17

About 9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene;9-[4-(2,2-diphenylethenyl)phenyl]-10-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]anthracene

9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene;9-[4-(2,2-diphenylethenyl)phenyl]-10-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]anthracene (PubChem CID 158494908) has the molecular formula C122H84 and a molecular weight of 1550.01 g/mol. Its IUPAC name is 9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene;9-[4-(2,2-diphenylethenyl)phenyl]-10-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]anthracene.

Molecular Properties

Compound Name9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene;9-[4-(2,2-diphenylethenyl)phenyl]-10-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]anthracene
PubChem CID158494908
Molecular FormulaC122H84
Molecular Weight1550.01 g/mol
Exact Mass1548.66
IUPAC Name9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene;9-[4-(2,2-diphenylethenyl)phenyl]-10-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]anthracene
SMILESC(=C(c1ccccc1)c1ccccc1)c1ccc(-c2c3ccccc3c(-c3c4ccccc4c(-c4ccc(C=C(c5ccccc5)c5ccccc5)cc4)c4ccccc34)c3ccccc23)cc1.C(=C(c1ccccc1)c1ccccc1)c1ccc(-c2c3ccccc3c(-c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)c3ccccc23)cc1
InChIInChI=1S/C68H46.C54H38/c1-5-21-49(22-6-1)63(50-23-7-2-8-24-50)45-47-37-41-53(42-38-47)65-55-29-13-17-33-59(55)67(60-34-18-14-30-56(60)65)68-61-35-19-15-31-57(61)66(58-32-16-20-36-62(58)68)54-43-39-48(40-44-54)46-64(51-25-9-3-10-26-51)52-27-11-4-12-28-52;1-5-17-41(18-6-1)51(42-19-7-2-8-20-42)37-39-29-33-45(34-30-39)53-47-25-13-15-27-49(47)54(50-28-16-14-26-48(50)53)46-35-31-40(32-36-46)38-52(43-21-9-3-10-22-43)44-23-11-4-12-24-44/h1-46H;1-38H
InChIKeyHJDRBJBPTASCOM-UHFFFAOYSA-N
XLogP32.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms122
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001550.01
LogP ≤ 532.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene;9-[4-(2,2-diphenylethenyl)phenyl]-10-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]anthracene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene;9-[4-(2,2-diphenylethenyl)phenyl]-10-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]anthracene?
The IUPAC name of 9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene;9-[4-(2,2-diphenylethenyl)phenyl]-10-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]anthracene (CID 158494908) is 9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene;9-[4-(2,2-diphenylethenyl)phenyl]-10-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]anthracene.
What is the SMILES notation for 9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene;9-[4-(2,2-diphenylethenyl)phenyl]-10-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]anthracene?
The canonical SMILES for 9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene;9-[4-(2,2-diphenylethenyl)phenyl]-10-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]anthracene is C(=C(c1ccccc1)c1ccccc1)c1ccc(-c2c3ccccc3c(-c3c4ccccc4c(-c4ccc(C=C(c5ccccc5)c5ccccc5)cc4)c4ccccc34)c3ccccc23)cc1.C(=C(c1ccccc1)c1ccccc1)c1ccc(-c2c3ccccc3c(-c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)c3ccccc23)cc1.
What is the InChIKey of 9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene;9-[4-(2,2-diphenylethenyl)phenyl]-10-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]anthracene?
The InChIKey is HJDRBJBPTASCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H46.C54H38/c1-5-21-49(22-6-1)63(50-23-7-2-8-24-50)45-47-37-41-53(42-38-47)65-55-29-13-17-33-59(55)67(60-34-18-14-30-56(60)65)68-61-35-19-15-31-57(61)66(58-32-16-20-36-62(58)68)54-43-39-48(40-44-54)46-64(51-25-9-3-10-26-51)52-27-11-4-12-28-52;1-5-17-41(18-6-1)51(42-19-7-2-8-20-42)37-39-29-33-45(34-30-39)53-47-25-13-15-27-49(47)54(50-28-16-14-26-48(50)53)46-35-31-40(32-36-46)38-52(43-21-9-3-10-22-43)44-23-11-4-12-24-44/h1-46H;1-38H.
What are the key properties of 9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene;9-[4-(2,2-diphenylethenyl)phenyl]-10-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]anthracene?
9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene;9-[4-(2,2-diphenylethenyl)phenyl]-10-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]anthracene has a molecular weight of 1550.01 g/mol, XLogP of 32.98, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene;9-[4-(2,2-diphenylethenyl)phenyl]-10-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]anthracene is sourced from PubChem (CID 158494908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).