9,9-dimethyl-9'-phenyl-5'-(5-phenylnaphthalen-1-yl)spiro[anthracene-10,7'-benzo[c]fluorene]

C54H38 — CID 171743019

IUPAC9,9-dimethyl-9'-phenyl-5'-(5-phenylnaphthalen-1-yl)spiro[anthracene-10,7'-benzo[c]fluorene]
SMILESCC1(C)c2ccccc2C2(c3cc(-c4ccccc4)ccc3-c3c2cc(-c2cccc4c(-c5ccccc5)cccc24)c2ccccc32)c2ccccc21
InChIInChI=1S/C54H38/c1-53(2)46-27-11-13-29-48(46)54(49-30-14-12-28-47(49)53)50-33-37(35-17-5-3-6-18-35)31-32-44(50)52-43-22-10-9-21-42(43)45(34-51(52)54)41-26-16-24-39-38(23-15-25-40(39)41)36-19-7-4-8-20-36/h3-34H,1-2H3
InChIKeyMAWXDXUNWOILQC-UHFFFAOYSA-N
MW686.90 g/mol
LogP14.00
Rot. Bonds3

About 9,9-dimethyl-9'-phenyl-5'-(5-phenylnaphthalen-1-yl)spiro[anthracene-10,7'-benzo[c]fluorene]

9,9-dimethyl-9'-phenyl-5'-(5-phenylnaphthalen-1-yl)spiro[anthracene-10,7'-benzo[c]fluorene] (PubChem CID 171743019) has the molecular formula C54H38 and a molecular weight of 686.90 g/mol. Its IUPAC name is 9,9-dimethyl-9'-phenyl-5'-(5-phenylnaphthalen-1-yl)spiro[anthracene-10,7'-benzo[c]fluorene].

Molecular Properties

Compound Name9,9-dimethyl-9'-phenyl-5'-(5-phenylnaphthalen-1-yl)spiro[anthracene-10,7'-benzo[c]fluorene]
PubChem CID171743019
Molecular FormulaC54H38
Molecular Weight686.90 g/mol
Exact Mass686.30
IUPAC Name9,9-dimethyl-9'-phenyl-5'-(5-phenylnaphthalen-1-yl)spiro[anthracene-10,7'-benzo[c]fluorene]
SMILESCC1(C)c2ccccc2C2(c3cc(-c4ccccc4)ccc3-c3c2cc(-c2cccc4c(-c5ccccc5)cccc24)c2ccccc32)c2ccccc21
InChIInChI=1S/C54H38/c1-53(2)46-27-11-13-29-48(46)54(49-30-14-12-28-47(49)53)50-33-37(35-17-5-3-6-18-35)31-32-44(50)52-43-22-10-9-21-42(43)45(34-51(52)54)41-26-16-24-39-38(23-15-25-40(39)41)36-19-7-4-8-20-36/h3-34H,1-2H3
InChIKeyMAWXDXUNWOILQC-UHFFFAOYSA-N
XLogP14.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.90
LogP ≤ 514.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5',9'-bis(3,5-diphenylphenyl)-9,9-dimethylspiro[anthracene-10,7'-benzo[c]fluorene]
CID 171742936
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
4-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine
CID 153302478
2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenylpyridine
CID 153302578
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-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158250945
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-ylphenyl)fluoren-2-amine
CID 134528088
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)naphthalen-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[4-[5-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 160518979
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 9,9-dimethyl-9'-phenyl-5'-(5-phenylnaphthalen-1-yl)spiro[anthracene-10,7'-benzo[c]fluorene]?
The IUPAC name of 9,9-dimethyl-9'-phenyl-5'-(5-phenylnaphthalen-1-yl)spiro[anthracene-10,7'-benzo[c]fluorene] (CID 171743019) is 9,9-dimethyl-9'-phenyl-5'-(5-phenylnaphthalen-1-yl)spiro[anthracene-10,7'-benzo[c]fluorene].
What is the SMILES notation for 9,9-dimethyl-9'-phenyl-5'-(5-phenylnaphthalen-1-yl)spiro[anthracene-10,7'-benzo[c]fluorene]?
The canonical SMILES for 9,9-dimethyl-9'-phenyl-5'-(5-phenylnaphthalen-1-yl)spiro[anthracene-10,7'-benzo[c]fluorene] is CC1(C)c2ccccc2C2(c3cc(-c4ccccc4)ccc3-c3c2cc(-c2cccc4c(-c5ccccc5)cccc24)c2ccccc32)c2ccccc21.
What is the InChIKey of 9,9-dimethyl-9'-phenyl-5'-(5-phenylnaphthalen-1-yl)spiro[anthracene-10,7'-benzo[c]fluorene]?
The InChIKey is MAWXDXUNWOILQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38/c1-53(2)46-27-11-13-29-48(46)54(49-30-14-12-28-47(49)53)50-33-37(35-17-5-3-6-18-35)31-32-44(50)52-43-22-10-9-21-42(43)45(34-51(52)54)41-26-16-24-39-38(23-15-25-40(39)41)36-19-7-4-8-20-36/h3-34H,1-2H3.
What are the key properties of 9,9-dimethyl-9'-phenyl-5'-(5-phenylnaphthalen-1-yl)spiro[anthracene-10,7'-benzo[c]fluorene]?
9,9-dimethyl-9'-phenyl-5'-(5-phenylnaphthalen-1-yl)spiro[anthracene-10,7'-benzo[c]fluorene] has a molecular weight of 686.90 g/mol, XLogP of 14.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-9'-phenyl-5'-(5-phenylnaphthalen-1-yl)spiro[anthracene-10,7'-benzo[c]fluorene] is sourced from PubChem (CID 171743019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).