5',9'-bis(3,5-diphenylphenyl)-9,9-dimethylspiro[anthracene-10,7'-benzo[c]fluorene]

C68H48 — CID 171742936

IUPAC5',9'-bis(3,5-diphenylphenyl)-9,9-dimethylspiro[anthracene-10,7'-benzo[c]fluorene]
SMILESCC1(C)c2ccccc2C2(c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)ccc3-c3c2cc(-c2cc(-c4ccccc4)cc(-c4ccccc4)c2)c2ccccc32)c2ccccc21
InChIInChI=1S/C68H48/c1-67(2)60-31-17-19-33-62(60)68(63-34-20-18-32-61(63)67)64-43-49(54-39-50(45-21-7-3-8-22-45)37-51(40-54)46-23-9-4-10-24-46)35-36-58(64)66-57-30-16-15-29-56(57)59(44-65(66)68)55-41-52(47-25-11-5-12-26-47)38-53(42-55)48-27-13-6-14-28-48/h3-44H,1-2H3
InChIKeyUEHSWNIYMMHWJB-UHFFFAOYSA-N
MW865.13 g/mol
LogP17.84
Rot. Bonds6

About 5',9'-bis(3,5-diphenylphenyl)-9,9-dimethylspiro[anthracene-10,7'-benzo[c]fluorene]

5',9'-bis(3,5-diphenylphenyl)-9,9-dimethylspiro[anthracene-10,7'-benzo[c]fluorene] (PubChem CID 171742936) has the molecular formula C68H48 and a molecular weight of 865.13 g/mol. Its IUPAC name is 5',9'-bis(3,5-diphenylphenyl)-9,9-dimethylspiro[anthracene-10,7'-benzo[c]fluorene].

Molecular Properties

Compound Name5',9'-bis(3,5-diphenylphenyl)-9,9-dimethylspiro[anthracene-10,7'-benzo[c]fluorene]
PubChem CID171742936
Molecular FormulaC68H48
Molecular Weight865.13 g/mol
Exact Mass864.38
IUPAC Name5',9'-bis(3,5-diphenylphenyl)-9,9-dimethylspiro[anthracene-10,7'-benzo[c]fluorene]
SMILESCC1(C)c2ccccc2C2(c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)ccc3-c3c2cc(-c2cc(-c4ccccc4)cc(-c4ccccc4)c2)c2ccccc32)c2ccccc21
InChIInChI=1S/C68H48/c1-67(2)60-31-17-19-33-62(60)68(63-34-20-18-32-61(63)67)64-43-49(54-39-50(45-21-7-3-8-22-45)37-51(40-54)46-23-9-4-10-24-46)35-36-58(64)66-57-30-16-15-29-56(57)59(44-65(66)68)55-41-52(47-25-11-5-12-26-47)38-53(42-55)48-27-13-6-14-28-48/h3-44H,1-2H3
InChIKeyUEHSWNIYMMHWJB-UHFFFAOYSA-N
XLogP17.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.13
LogP ≤ 517.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9,9-dimethyl-9'-phenyl-5'-(5-phenylnaphthalen-1-yl)spiro[anthracene-10,7'-benzo[c]fluorene]
CID 171743019
9,9-dimethyl-5',9'-dinaphthalen-2-ylspiro[anthracene-10,7'-benzo[c]fluorene]
CID 171742596
7,7-diphenyl-5,9-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]benzo[c]fluorene
CID 59755297
7,7-diphenyl-5,9-bis[3-(3-phenylphenyl)phenyl]benzo[c]fluorene
CID 59755365
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
5-bromo-9-phenylspiro[benzo[c]fluorene-7,9'-fluorene]
CID 134354213
2-(3,5-diphenylphenyl)-7-[4-[7-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58880913
2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene
CID 59217114
9-[9,9-dimethyl-7-[10-[10-(3-phenylphenyl)anthracen-9-yl]anthracen-9-yl]fluoren-2-yl]-10-(3-phenylphenyl)anthracene
CID 20822310
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene
CID 20822329
2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174873
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-12,12-dimethyl-15-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58151610

Frequently Asked Questions

What is the IUPAC name of 5',9'-bis(3,5-diphenylphenyl)-9,9-dimethylspiro[anthracene-10,7'-benzo[c]fluorene]?
The IUPAC name of 5',9'-bis(3,5-diphenylphenyl)-9,9-dimethylspiro[anthracene-10,7'-benzo[c]fluorene] (CID 171742936) is 5',9'-bis(3,5-diphenylphenyl)-9,9-dimethylspiro[anthracene-10,7'-benzo[c]fluorene].
What is the SMILES notation for 5',9'-bis(3,5-diphenylphenyl)-9,9-dimethylspiro[anthracene-10,7'-benzo[c]fluorene]?
The canonical SMILES for 5',9'-bis(3,5-diphenylphenyl)-9,9-dimethylspiro[anthracene-10,7'-benzo[c]fluorene] is CC1(C)c2ccccc2C2(c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)ccc3-c3c2cc(-c2cc(-c4ccccc4)cc(-c4ccccc4)c2)c2ccccc32)c2ccccc21.
What is the InChIKey of 5',9'-bis(3,5-diphenylphenyl)-9,9-dimethylspiro[anthracene-10,7'-benzo[c]fluorene]?
The InChIKey is UEHSWNIYMMHWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H48/c1-67(2)60-31-17-19-33-62(60)68(63-34-20-18-32-61(63)67)64-43-49(54-39-50(45-21-7-3-8-22-45)37-51(40-54)46-23-9-4-10-24-46)35-36-58(64)66-57-30-16-15-29-56(57)59(44-65(66)68)55-41-52(47-25-11-5-12-26-47)38-53(42-55)48-27-13-6-14-28-48/h3-44H,1-2H3.
What are the key properties of 5',9'-bis(3,5-diphenylphenyl)-9,9-dimethylspiro[anthracene-10,7'-benzo[c]fluorene]?
5',9'-bis(3,5-diphenylphenyl)-9,9-dimethylspiro[anthracene-10,7'-benzo[c]fluorene] has a molecular weight of 865.13 g/mol, XLogP of 17.84, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5',9'-bis(3,5-diphenylphenyl)-9,9-dimethylspiro[anthracene-10,7'-benzo[c]fluorene] is sourced from PubChem (CID 171742936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).