9,10-bis(9,9-dimethylfluoren-2-yl)-2-[4-(10-phenyl-1,4-dihydroanthracen-9-yl)phenyl]anthracene

C70H52 — CID 153275967

IUPAC9,10-bis(9,9-dimethylfluoren-2-yl)-2-[4-(10-phenyl-1,4-dihydroanthracen-9-yl)phenyl]anthracene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5ccc(-c6c7c(c(-c8ccccc8)c8ccccc68)CC=CC7)cc5)ccc34)cc21
InChIInChI=1S/C70H52/c1-69(2)61-28-16-14-20-49(61)51-37-35-47(41-63(51)69)67-57-26-12-13-27-58(57)68(48-36-38-52-50-21-15-17-29-62(50)70(3,4)64(52)42-48)60-40-46(34-39-59(60)67)43-30-32-45(33-31-43)66-55-24-10-8-22-53(55)65(44-18-6-5-7-19-44)54-23-9-11-25-56(54)66/h5-22,24,26-42H,23,25H2,1-4H3
InChIKeyGNGLRYVWJNZQCM-UHFFFAOYSA-N
MW893.19 g/mol
LogP18.75
Rot. Bonds5

About 9,10-bis(9,9-dimethylfluoren-2-yl)-2-[4-(10-phenyl-1,4-dihydroanthracen-9-yl)phenyl]anthracene

9,10-bis(9,9-dimethylfluoren-2-yl)-2-[4-(10-phenyl-1,4-dihydroanthracen-9-yl)phenyl]anthracene (PubChem CID 153275967) has the molecular formula C70H52 and a molecular weight of 893.19 g/mol. Its IUPAC name is 9,10-bis(9,9-dimethylfluoren-2-yl)-2-[4-(10-phenyl-1,4-dihydroanthracen-9-yl)phenyl]anthracene.

Molecular Properties

Compound Name9,10-bis(9,9-dimethylfluoren-2-yl)-2-[4-(10-phenyl-1,4-dihydroanthracen-9-yl)phenyl]anthracene
PubChem CID153275967
Molecular FormulaC70H52
Molecular Weight893.19 g/mol
Exact Mass892.41
IUPAC Name9,10-bis(9,9-dimethylfluoren-2-yl)-2-[4-(10-phenyl-1,4-dihydroanthracen-9-yl)phenyl]anthracene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5ccc(-c6c7c(c(-c8ccccc8)c8ccccc68)CC=CC7)cc5)ccc34)cc21
InChIInChI=1S/C70H52/c1-69(2)61-28-16-14-20-49(61)51-37-35-47(41-63(51)69)67-57-26-12-13-27-58(57)68(48-36-38-52-50-21-15-17-29-62(50)70(3,4)64(52)42-48)60-40-46(34-39-59(60)67)43-30-32-45(33-31-43)66-55-24-10-8-22-53(55)65(44-18-6-5-7-19-44)54-23-9-11-25-56(54)66/h5-22,24,26-42H,23,25H2,1-4H3
InChIKeyGNGLRYVWJNZQCM-UHFFFAOYSA-N
XLogP18.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.19
LogP ≤ 518.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
10-(9,9-dimethylfluoren-2-yl)-2,9-dinaphthalen-2-ylanthracene;2,10-diphenyl-9-(4-phenylphenyl)anthracene;2,9,10-tris(9,9-dimethylfluoren-2-yl)anthracene
CID 162071769
9,10-bis(4-phenylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,10-bis(4-phenylphenyl)anthracene;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene
CID 159520005
9-(9,9-dimethylfluoren-3-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylanthracene
CID 59195039
9-(9,9-dimethylfluoren-3-yl)-2,10-diphenylanthracene
CID 59195155
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene
CID 20822329
10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-phenylanthracene
CID 58323304
9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 59195124
2'-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]spiro[cyclopentane-1,9'-fluorene]
CID 59196407
2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]dibenzofuran
CID 59196306
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 20822243

Frequently Asked Questions

What is the IUPAC name of 9,10-bis(9,9-dimethylfluoren-2-yl)-2-[4-(10-phenyl-1,4-dihydroanthracen-9-yl)phenyl]anthracene?
The IUPAC name of 9,10-bis(9,9-dimethylfluoren-2-yl)-2-[4-(10-phenyl-1,4-dihydroanthracen-9-yl)phenyl]anthracene (CID 153275967) is 9,10-bis(9,9-dimethylfluoren-2-yl)-2-[4-(10-phenyl-1,4-dihydroanthracen-9-yl)phenyl]anthracene.
What is the SMILES notation for 9,10-bis(9,9-dimethylfluoren-2-yl)-2-[4-(10-phenyl-1,4-dihydroanthracen-9-yl)phenyl]anthracene?
The canonical SMILES for 9,10-bis(9,9-dimethylfluoren-2-yl)-2-[4-(10-phenyl-1,4-dihydroanthracen-9-yl)phenyl]anthracene is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5ccc(-c6c7c(c(-c8ccccc8)c8ccccc68)CC=CC7)cc5)ccc34)cc21.
What is the InChIKey of 9,10-bis(9,9-dimethylfluoren-2-yl)-2-[4-(10-phenyl-1,4-dihydroanthracen-9-yl)phenyl]anthracene?
The InChIKey is GNGLRYVWJNZQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H52/c1-69(2)61-28-16-14-20-49(61)51-37-35-47(41-63(51)69)67-57-26-12-13-27-58(57)68(48-36-38-52-50-21-15-17-29-62(50)70(3,4)64(52)42-48)60-40-46(34-39-59(60)67)43-30-32-45(33-31-43)66-55-24-10-8-22-53(55)65(44-18-6-5-7-19-44)54-23-9-11-25-56(54)66/h5-22,24,26-42H,23,25H2,1-4H3.
What are the key properties of 9,10-bis(9,9-dimethylfluoren-2-yl)-2-[4-(10-phenyl-1,4-dihydroanthracen-9-yl)phenyl]anthracene?
9,10-bis(9,9-dimethylfluoren-2-yl)-2-[4-(10-phenyl-1,4-dihydroanthracen-9-yl)phenyl]anthracene has a molecular weight of 893.19 g/mol, XLogP of 18.75, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(9,9-dimethylfluoren-2-yl)-2-[4-(10-phenyl-1,4-dihydroanthracen-9-yl)phenyl]anthracene is sourced from PubChem (CID 153275967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).