2-[3-[5-[10-[4-[2-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracen-9-yl]-3-phenylcyclohexa-1,5-dien-1-yl]phenyl]-9-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]anthracene

C108H80 — CID 123508639

IUPAC2-[3-[5-[10-[4-[2-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracen-9-yl]-3-phenylcyclohexa-1,5-dien-1-yl]phenyl]-9-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]anthracene
SMILESC1=CC2C=CC=C(C3=CC=C(C=CC4=CC=C(C5=c6ccccc6=C(C6=CC(c7cccc(-c8ccc9cc%10ccccc%10c(-c%10c%11ccccc%11c(-c%11ccc(C=Cc%12ccc(-c%13cccc%14ccccc%13%14)cc%12)cc%11)c%11ccccc%10%11)c9c8)c7)=CC(c7ccccc7)C6)C6C=CC=CC56)CC4)CC3)C2C=C1
InChIInChI=1S/C108H80/c1-2-21-75(22-3-1)87-67-88(69-89(68-87)106-97-35-12-10-33-95(97)104(96-34-11-13-36-98(96)106)80-59-51-73(52-60-80)45-43-71-47-55-78(56-48-71)92-41-19-26-76-23-4-7-30-90(76)92)83-29-18-28-82(65-83)84-63-64-86-66-85-25-6-9-32-94(85)107(103(86)70-84)108-101-39-16-14-37-99(101)105(100-38-15-17-40-102(100)108)81-61-53-74(54-62-81)46-44-72-49-57-79(58-50-72)93-42-20-27-77-24-5-8-31-91(77)93/h1-47,49-51,53-55,57-59,61-67,69-70,76,87,90,95,97H,48,52,56,60,68H2
InChIKeyGNBKNZNUBUTICU-UHFFFAOYSA-N
MW1377.83 g/mol
LogP26.87
Rot. Bonds13

About 2-[3-[5-[10-[4-[2-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracen-9-yl]-3-phenylcyclohexa-1,5-dien-1-yl]phenyl]-9-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]anthracene

2-[3-[5-[10-[4-[2-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracen-9-yl]-3-phenylcyclohexa-1,5-dien-1-yl]phenyl]-9-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]anthracene (PubChem CID 123508639) has the molecular formula C108H80 and a molecular weight of 1377.83 g/mol. Its IUPAC name is 2-[3-[5-[10-[4-[2-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracen-9-yl]-3-phenylcyclohexa-1,5-dien-1-yl]phenyl]-9-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]anthracene.

Molecular Properties

Compound Name2-[3-[5-[10-[4-[2-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracen-9-yl]-3-phenylcyclohexa-1,5-dien-1-yl]phenyl]-9-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]anthracene
PubChem CID123508639
Molecular FormulaC108H80
Molecular Weight1377.83 g/mol
Exact Mass1376.63
IUPAC Name2-[3-[5-[10-[4-[2-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracen-9-yl]-3-phenylcyclohexa-1,5-dien-1-yl]phenyl]-9-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]anthracene
SMILESC1=CC2C=CC=C(C3=CC=C(C=CC4=CC=C(C5=c6ccccc6=C(C6=CC(c7cccc(-c8ccc9cc%10ccccc%10c(-c%10c%11ccccc%11c(-c%11ccc(C=Cc%12ccc(-c%13cccc%14ccccc%13%14)cc%12)cc%11)c%11ccccc%10%11)c9c8)c7)=CC(c7ccccc7)C6)C6C=CC=CC56)CC4)CC3)C2C=C1
InChIInChI=1S/C108H80/c1-2-21-75(22-3-1)87-67-88(69-89(68-87)106-97-35-12-10-33-95(97)104(96-34-11-13-36-98(96)106)80-59-51-73(52-60-80)45-43-71-47-55-78(56-48-71)92-41-19-26-76-23-4-7-30-90(76)92)83-29-18-28-82(65-83)84-63-64-86-66-85-25-6-9-32-94(85)107(103(86)70-84)108-101-39-16-14-37-99(101)105(100-38-15-17-40-102(100)108)81-61-53-74(54-62-81)46-44-72-49-57-79(58-50-72)93-42-20-27-77-24-5-8-31-91(77)93/h1-47,49-51,53-55,57-59,61-67,69-70,76,87,90,95,97H,48,52,56,60,68H2
InChIKeyGNBKNZNUBUTICU-UHFFFAOYSA-N
XLogP26.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001377.83
LogP ≤ 526.87
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 2-[3-[5-[10-[4-[2-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracen-9-yl]-3-phenylcyclohexa-1,5-dien-1-yl]phenyl]-9-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]anthracene with MolForge

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Related Compounds

10-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]-9-(4-naphthalen-2-ylphenyl)-2-phenyl-4a,9a-dihydroanthracene
CID 90728902
9-[4-[2-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]-10-(4b,8a-dihydrophenanthren-9-yl)-4a,9a-dihydroanthracene
CID 123648265
9-(5-hexa-1,3,5-trien-3-yl-3-phenylcyclohexa-1,3-dien-1-yl)-10-naphthalen-1-yl-4a,9a-dihydroanthracene
CID 123946931
9-[4-[4-[10-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-4a,8a-dihydronaphthalen-1-yl]-10-phenylanthracene
CID 91600105
9-(3,5-diphenylphenyl)-10-[4-[(E)-2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracene
CID 140834646
2-[4-(4a,8a-dihydronaphthalen-1-yl)naphthalen-2-yl]-4-(6-phenylnaphthalen-2-yl)-6-(8-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 176735087
3-[10-[4-[2-[4-(4a,8a-dihydronaphthalen-1-yl)-4a,8a-dihydronaphthalen-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracen-9-yl]-1,2-dihydrofluoranthene
CID 123255682
2-[3-[10-[4-(4a,8a-dihydronaphthalen-1-yl)phenyl]anthracen-9-yl]phenyl]triphenylene
CID 140717795
5-(4-naphthalen-1-ylphenyl)-3,6-diphenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8,10,14,16-octaene
CID 123765532
9-(4-naphthalen-1-ylphenyl)-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 59398966
2-[3-[3-(3,5-diphenylcyclohexa-1,5-dien-1-yl)-10-(5-pyridin-2-ylcyclohexa-1,3-dien-1-yl)anthracen-9-yl]phenyl]pyridine
CID 167282117
9-[7-(8a,9-dihydrophenanthren-9-yl)-1,7,8,8a-tetrahydronaphthalen-2-yl]-10-naphthalen-1-yl-4a,9a-dihydroanthracene;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-naphthalen-1-yl-10-(3-phenylphenyl)anthracene;9-naphthalen-1-yl-10-(4-phenylphenyl)anthracene
CID 161076468

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-[10-[4-[2-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracen-9-yl]-3-phenylcyclohexa-1,5-dien-1-yl]phenyl]-9-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]anthracene?
The IUPAC name of 2-[3-[5-[10-[4-[2-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracen-9-yl]-3-phenylcyclohexa-1,5-dien-1-yl]phenyl]-9-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]anthracene (CID 123508639) is 2-[3-[5-[10-[4-[2-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracen-9-yl]-3-phenylcyclohexa-1,5-dien-1-yl]phenyl]-9-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]anthracene.
What is the SMILES notation for 2-[3-[5-[10-[4-[2-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracen-9-yl]-3-phenylcyclohexa-1,5-dien-1-yl]phenyl]-9-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]anthracene?
The canonical SMILES for 2-[3-[5-[10-[4-[2-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracen-9-yl]-3-phenylcyclohexa-1,5-dien-1-yl]phenyl]-9-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]anthracene is C1=CC2C=CC=C(C3=CC=C(C=CC4=CC=C(C5=c6ccccc6=C(C6=CC(c7cccc(-c8ccc9cc%10ccccc%10c(-c%10c%11ccccc%11c(-c%11ccc(C=Cc%12ccc(-c%13cccc%14ccccc%13%14)cc%12)cc%11)c%11ccccc%10%11)c9c8)c7)=CC(c7ccccc7)C6)C6C=CC=CC56)CC4)CC3)C2C=C1.
What is the InChIKey of 2-[3-[5-[10-[4-[2-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracen-9-yl]-3-phenylcyclohexa-1,5-dien-1-yl]phenyl]-9-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]anthracene?
The InChIKey is GNBKNZNUBUTICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H80/c1-2-21-75(22-3-1)87-67-88(69-89(68-87)106-97-35-12-10-33-95(97)104(96-34-11-13-36-98(96)106)80-59-51-73(52-60-80)45-43-71-47-55-78(56-48-71)92-41-19-26-76-23-4-7-30-90(76)92)83-29-18-28-82(65-83)84-63-64-86-66-85-25-6-9-32-94(85)107(103(86)70-84)108-101-39-16-14-37-99(101)105(100-38-15-17-40-102(100)108)81-61-53-74(54-62-81)46-44-72-49-57-79(58-50-72)93-42-20-27-77-24-5-8-31-91(77)93/h1-47,49-51,53-55,57-59,61-67,69-70,76,87,90,95,97H,48,52,56,60,68H2.
What are the key properties of 2-[3-[5-[10-[4-[2-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracen-9-yl]-3-phenylcyclohexa-1,5-dien-1-yl]phenyl]-9-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]anthracene?
2-[3-[5-[10-[4-[2-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracen-9-yl]-3-phenylcyclohexa-1,5-dien-1-yl]phenyl]-9-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]anthracene has a molecular weight of 1377.83 g/mol, XLogP of 26.87, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-[10-[4-[2-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracen-9-yl]-3-phenylcyclohexa-1,5-dien-1-yl]phenyl]-9-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]anthracene is sourced from PubChem (CID 123508639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).