10-cyclohexa-1,3-dien-1-yl-6-[3-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-[10-[10-[2-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-2-[9,10-di(cyclohexa-1,3-dien-1-yl)-2,3-dihydroanthracen-2-yl]-9-phenyl-2,3-dihydroanthracene

C116H92 — CID 123479089

IUPAC10-cyclohexa-1,3-dien-1-yl-6-[3-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-[10-[10-[2-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-2-[9,10-di(cyclohexa-1,3-dien-1-yl)-2,3-dihydroanthracen-2-yl]-9-phenyl-2,3-dihydroanthracene
SMILESC1=CCCC(C2=CC=C(c3ccccc3-c3c4ccccc4c(-c4c5ccccc5c(-c5ccc(-c6ccc7c(-c8ccccc8)c8c(c(C9=CC=CCC9)c7c6)=CCC(C6C=c7c(C9=CC=CCC9)c9ccccc9c(C9=CC=CCC9)c7=CC6)C=8)cc5C5=CC=C(C6=CC=CCC6)CC5)c5ccccc45)c4ccccc34)CC2)=C1
InChIInChI=1S/C116H92/c1-7-31-75(32-8-1)77-55-59-79(60-56-77)89-43-19-20-44-90(89)113-93-47-23-27-51-97(93)115(98-52-28-24-48-94(98)113)116-99-53-29-25-49-95(99)114(96-50-26-30-54-100(96)116)101-67-63-85(71-105(101)80-61-57-78(58-62-80)76-33-9-2-10-34-76)86-65-69-103-107(72-86)111(83-39-15-5-16-40-83)104-70-66-88(74-108(104)112(103)84-41-17-6-18-42-84)87-64-68-102-106(73-87)110(82-37-13-4-14-38-82)92-46-22-21-45-91(92)109(102)81-35-11-3-12-36-81/h1-7,9,11,13,15,17-31,33,35,37,39,41-55,57,59,61,63,65,67-74,87-88H,8,10,12,14,16,32,34,36,38,40,56,58,60,62,64,66H2
InChIKeyIJSUMFLLAUVSIH-UHFFFAOYSA-N
MW1486.01 g/mol
LogP28.76
Rot. Bonds13

About 10-cyclohexa-1,3-dien-1-yl-6-[3-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-[10-[10-[2-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-2-[9,10-di(cyclohexa-1,3-dien-1-yl)-2,3-dihydroanthracen-2-yl]-9-phenyl-2,3-dihydroanthracene

10-cyclohexa-1,3-dien-1-yl-6-[3-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-[10-[10-[2-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-2-[9,10-di(cyclohexa-1,3-dien-1-yl)-2,3-dihydroanthracen-2-yl]-9-phenyl-2,3-dihydroanthracene (PubChem CID 123479089) has the molecular formula C116H92 and a molecular weight of 1486.01 g/mol. Its IUPAC name is 10-cyclohexa-1,3-dien-1-yl-6-[3-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-[10-[10-[2-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-2-[9,10-di(cyclohexa-1,3-dien-1-yl)-2,3-dihydroanthracen-2-yl]-9-phenyl-2,3-dihydroanthracene.

Molecular Properties

Compound Name10-cyclohexa-1,3-dien-1-yl-6-[3-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-[10-[10-[2-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-2-[9,10-di(cyclohexa-1,3-dien-1-yl)-2,3-dihydroanthracen-2-yl]-9-phenyl-2,3-dihydroanthracene
PubChem CID123479089
Molecular FormulaC116H92
Molecular Weight1486.01 g/mol
Exact Mass1484.72
IUPAC Name10-cyclohexa-1,3-dien-1-yl-6-[3-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-[10-[10-[2-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-2-[9,10-di(cyclohexa-1,3-dien-1-yl)-2,3-dihydroanthracen-2-yl]-9-phenyl-2,3-dihydroanthracene
SMILESC1=CCCC(C2=CC=C(c3ccccc3-c3c4ccccc4c(-c4c5ccccc5c(-c5ccc(-c6ccc7c(-c8ccccc8)c8c(c(C9=CC=CCC9)c7c6)=CCC(C6C=c7c(C9=CC=CCC9)c9ccccc9c(C9=CC=CCC9)c7=CC6)C=8)cc5C5=CC=C(C6=CC=CCC6)CC5)c5ccccc45)c4ccccc34)CC2)=C1
InChIInChI=1S/C116H92/c1-7-31-75(32-8-1)77-55-59-79(60-56-77)89-43-19-20-44-90(89)113-93-47-23-27-51-97(93)115(98-52-28-24-48-94(98)113)116-99-53-29-25-49-95(99)114(96-50-26-30-54-100(96)116)101-67-63-85(71-105(101)80-61-57-78(58-62-80)76-33-9-2-10-34-76)86-65-69-103-107(72-86)111(83-39-15-5-16-40-83)104-70-66-88(74-108(104)112(103)84-41-17-6-18-42-84)87-64-68-102-106(73-87)110(82-37-13-4-14-38-82)92-46-22-21-45-91(92)109(102)81-35-11-3-12-36-81/h1-7,9,11,13,15,17-31,33,35,37,39,41-55,57,59,61,63,65,67-74,87-88H,8,10,12,14,16,32,34,36,38,40,56,58,60,62,64,66H2
InChIKeyIJSUMFLLAUVSIH-UHFFFAOYSA-N
XLogP28.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001486.01
LogP ≤ 528.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 10-cyclohexa-1,3-dien-1-yl-6-[3-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-[10-[10-[2-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-2-[9,10-di(cyclohexa-1,3-dien-1-yl)-2,3-dihydroanthracen-2-yl]-9-phenyl-2,3-dihydroanthracene with MolForge

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Related Compounds

3-(2-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-14,21,28-triphenylnonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(32),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-hexadecaene
CID 91176682
6-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-13-(4-phenylphenyl)pentacene
CID 164763728
9-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 59766421
2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-diphenylanthracene
CID 123147447
2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-bis(2-phenylphenyl)anthracene
CID 18740150
9-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-10-naphthalen-1-yl-6-N-naphthalen-2-yl-2-N,2-N,6-N-triphenylanthracene-2,6-diamine
CID 89061041
5-(2-cyclohexa-1,3-dien-1-ylphenyl)-17,18-dimethyl-12-phenyl-28-(3-phenylphenyl)nonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(32),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-hexadecaene
CID 91479144
4-(3-cyclohexa-1,3-dien-1-yl-4-phenylphenyl)-2-(4-dibenzofuran-3-ylcyclohexa-1,3-dien-1-yl)-6-(3-phenylphenyl)pyrimidine
CID 175619689
6-(10-cyclohexa-1,3-dien-1-ylanthracen-9-yl)-2-[10-(3-phenylphenyl)anthracen-9-yl]dibenzothiophene
CID 166690234
2-(10-cyclohexa-1,3-dien-1-yl-2,3-dihydroanthracen-9-yl)-7-naphthalen-1-yldibenzofuran
CID 166737765
5,11-dinaphthalen-1-yl-2-(5,6,7,8-tetraphenylnaphthalen-2-yl)-9H-cyclohepta[b]naphthalene
CID 143539851
4-(4-cyclohexa-1,3-dien-1-yl-10-naphthalen-2-yl-2-phenyltriphenylen-1-yl)-N,N-diphenylaniline
CID 89083843

Frequently Asked Questions

What is the IUPAC name of 10-cyclohexa-1,3-dien-1-yl-6-[3-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-[10-[10-[2-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-2-[9,10-di(cyclohexa-1,3-dien-1-yl)-2,3-dihydroanthracen-2-yl]-9-phenyl-2,3-dihydroanthracene?
The IUPAC name of 10-cyclohexa-1,3-dien-1-yl-6-[3-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-[10-[10-[2-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-2-[9,10-di(cyclohexa-1,3-dien-1-yl)-2,3-dihydroanthracen-2-yl]-9-phenyl-2,3-dihydroanthracene (CID 123479089) is 10-cyclohexa-1,3-dien-1-yl-6-[3-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-[10-[10-[2-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-2-[9,10-di(cyclohexa-1,3-dien-1-yl)-2,3-dihydroanthracen-2-yl]-9-phenyl-2,3-dihydroanthracene.
What is the SMILES notation for 10-cyclohexa-1,3-dien-1-yl-6-[3-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-[10-[10-[2-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-2-[9,10-di(cyclohexa-1,3-dien-1-yl)-2,3-dihydroanthracen-2-yl]-9-phenyl-2,3-dihydroanthracene?
The canonical SMILES for 10-cyclohexa-1,3-dien-1-yl-6-[3-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-[10-[10-[2-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-2-[9,10-di(cyclohexa-1,3-dien-1-yl)-2,3-dihydroanthracen-2-yl]-9-phenyl-2,3-dihydroanthracene is C1=CCCC(C2=CC=C(c3ccccc3-c3c4ccccc4c(-c4c5ccccc5c(-c5ccc(-c6ccc7c(-c8ccccc8)c8c(c(C9=CC=CCC9)c7c6)=CCC(C6C=c7c(C9=CC=CCC9)c9ccccc9c(C9=CC=CCC9)c7=CC6)C=8)cc5C5=CC=C(C6=CC=CCC6)CC5)c5ccccc45)c4ccccc34)CC2)=C1.
What is the InChIKey of 10-cyclohexa-1,3-dien-1-yl-6-[3-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-[10-[10-[2-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-2-[9,10-di(cyclohexa-1,3-dien-1-yl)-2,3-dihydroanthracen-2-yl]-9-phenyl-2,3-dihydroanthracene?
The InChIKey is IJSUMFLLAUVSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C116H92/c1-7-31-75(32-8-1)77-55-59-79(60-56-77)89-43-19-20-44-90(89)113-93-47-23-27-51-97(93)115(98-52-28-24-48-94(98)113)116-99-53-29-25-49-95(99)114(96-50-26-30-54-100(96)116)101-67-63-85(71-105(101)80-61-57-78(58-62-80)76-33-9-2-10-34-76)86-65-69-103-107(72-86)111(83-39-15-5-16-40-83)104-70-66-88(74-108(104)112(103)84-41-17-6-18-42-84)87-64-68-102-106(73-87)110(82-37-13-4-14-38-82)92-46-22-21-45-91(92)109(102)81-35-11-3-12-36-81/h1-7,9,11,13,15,17-31,33,35,37,39,41-55,57,59,61,63,65,67-74,87-88H,8,10,12,14,16,32,34,36,38,40,56,58,60,62,64,66H2.
What are the key properties of 10-cyclohexa-1,3-dien-1-yl-6-[3-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-[10-[10-[2-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-2-[9,10-di(cyclohexa-1,3-dien-1-yl)-2,3-dihydroanthracen-2-yl]-9-phenyl-2,3-dihydroanthracene?
10-cyclohexa-1,3-dien-1-yl-6-[3-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-[10-[10-[2-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-2-[9,10-di(cyclohexa-1,3-dien-1-yl)-2,3-dihydroanthracen-2-yl]-9-phenyl-2,3-dihydroanthracene has a molecular weight of 1486.01 g/mol, XLogP of 28.76, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-cyclohexa-1,3-dien-1-yl-6-[3-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-[10-[10-[2-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-2-[9,10-di(cyclohexa-1,3-dien-1-yl)-2,3-dihydroanthracen-2-yl]-9-phenyl-2,3-dihydroanthracene is sourced from PubChem (CID 123479089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).