2,6-bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,10-bis(2-phenylphenyl)anthracene

C88H62 — CID 58251721

IUPAC2,6-bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,10-bis(2-phenylphenyl)anthracene
SMILESCC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(-c3ccc4c(-c5ccccc5-c5ccccc5)c5cc(-c6ccc7c(c6)C(C)(C)c6cc(-c8ccc9ccccc9c8)ccc6-7)ccc5c(-c5ccccc5-c5ccccc5)c4c3)cc21
InChIInChI=1S/C88H62/c1-87(2)81-51-65(61-33-31-55-19-11-13-25-59(55)47-61)35-41-71(81)73-43-37-67(53-83(73)87)63-39-45-77-79(49-63)85(75-29-17-15-27-69(75)57-21-7-5-8-22-57)78-46-40-64(50-80(78)86(77)76-30-18-16-28-70(76)58-23-9-6-10-24-58)68-38-44-74-72-42-36-66(52-82(72)88(3,4)84(74)54-68)62-34-32-56-20-12-14-26-60(56)48-62/h5-54H,1-4H3
InChIKeyOKCOWWBSGHXIGN-UHFFFAOYSA-N
MW1119.46 g/mol
LogP24.25
Rot. Bonds8

About 2,6-bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,10-bis(2-phenylphenyl)anthracene

2,6-bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,10-bis(2-phenylphenyl)anthracene (PubChem CID 58251721) has the molecular formula C88H62 and a molecular weight of 1119.46 g/mol. Its IUPAC name is 2,6-bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,10-bis(2-phenylphenyl)anthracene.

Molecular Properties

Compound Name2,6-bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,10-bis(2-phenylphenyl)anthracene
PubChem CID58251721
Molecular FormulaC88H62
Molecular Weight1119.46 g/mol
Exact Mass1118.49
IUPAC Name2,6-bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,10-bis(2-phenylphenyl)anthracene
SMILESCC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(-c3ccc4c(-c5ccccc5-c5ccccc5)c5cc(-c6ccc7c(c6)C(C)(C)c6cc(-c8ccc9ccccc9c8)ccc6-7)ccc5c(-c5ccccc5-c5ccccc5)c4c3)cc21
InChIInChI=1S/C88H62/c1-87(2)81-51-65(61-33-31-55-19-11-13-25-59(55)47-61)35-41-71(81)73-43-37-67(53-83(73)87)63-39-45-77-79(49-63)85(75-29-17-15-27-69(75)57-21-7-5-8-22-57)78-46-40-64(50-80(78)86(77)76-30-18-16-28-70(76)58-23-9-6-10-24-58)68-38-44-74-72-42-36-66(52-82(72)88(3,4)84(74)54-68)62-34-32-56-20-12-14-26-60(56)48-62/h5-54H,1-4H3
InChIKeyOKCOWWBSGHXIGN-UHFFFAOYSA-N
XLogP24.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001119.46
LogP ≤ 524.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 59195223
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
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-2-yl)-2-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59195394
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
10,10-dimethyl-14,21-dinaphthalen-2-yl-7,17-diphenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene
CID 123577750
9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene;9-naphthalen-2-yl-10-[2-(4-phenylphenyl)phenyl]anthracene;9-naphthalen-2-yl-10-[3-(4-phenylphenyl)phenyl]anthracene;9-naphthalen-2-yl-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 158896768
2-(9,9-dimethylfluoren-2-yl)-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 143930053
10,10-dimethyl-14,21-dinaphthalen-2-yl-7-(2-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene
CID 58175484
9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(2-phenylnaphthalen-1-yl)anthracene
CID 59196085
10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)anthracene;9-(9,9-dimethylfluoren-2-yl)-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene;2-naphthalen-2-yl-9-phenanthren-9-yl-10-(3-phenylphenyl)anthracene;2-naphthalen-2-yl-9-phenanthren-9-yl-10-(4-phenylphenyl)anthracene;9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene;9-(2-naphthalen-2-ylphenyl)-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 159641942

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,10-bis(2-phenylphenyl)anthracene?
The IUPAC name of 2,6-bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,10-bis(2-phenylphenyl)anthracene (CID 58251721) is 2,6-bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,10-bis(2-phenylphenyl)anthracene.
What is the SMILES notation for 2,6-bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,10-bis(2-phenylphenyl)anthracene?
The canonical SMILES for 2,6-bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,10-bis(2-phenylphenyl)anthracene is CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(-c3ccc4c(-c5ccccc5-c5ccccc5)c5cc(-c6ccc7c(c6)C(C)(C)c6cc(-c8ccc9ccccc9c8)ccc6-7)ccc5c(-c5ccccc5-c5ccccc5)c4c3)cc21.
What is the InChIKey of 2,6-bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,10-bis(2-phenylphenyl)anthracene?
The InChIKey is OKCOWWBSGHXIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H62/c1-87(2)81-51-65(61-33-31-55-19-11-13-25-59(55)47-61)35-41-71(81)73-43-37-67(53-83(73)87)63-39-45-77-79(49-63)85(75-29-17-15-27-69(75)57-21-7-5-8-22-57)78-46-40-64(50-80(78)86(77)76-30-18-16-28-70(76)58-23-9-6-10-24-58)68-38-44-74-72-42-36-66(52-82(72)88(3,4)84(74)54-68)62-34-32-56-20-12-14-26-60(56)48-62/h5-54H,1-4H3.
What are the key properties of 2,6-bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,10-bis(2-phenylphenyl)anthracene?
2,6-bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,10-bis(2-phenylphenyl)anthracene has a molecular weight of 1119.46 g/mol, XLogP of 24.25, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,10-bis(2-phenylphenyl)anthracene is sourced from PubChem (CID 58251721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).