12,12-dimethyl-N,N-bis(4-phenylphenyl)spiro[benzo[a]anthracene-7,9'-xanthene]-4'-amine

C56H41NO — CID 161304661

IUPAC12,12-dimethyl-N,N-bis(4-phenylphenyl)spiro[benzo[a]anthracene-7,9'-xanthene]-4'-amine
SMILESCC1(C)c2ccccc2C2(c3ccccc3Oc3c(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cccc32)c2ccc3ccccc3c21
InChIInChI=1S/C56H41NO/c1-55(2)46-22-11-12-23-47(46)56(49-37-32-42-20-9-10-21-45(42)53(49)55)48-24-13-14-27-52(48)58-54-50(56)25-15-26-51(54)57(43-33-28-40(29-34-43)38-16-5-3-6-17-38)44-35-30-41(31-36-44)39-18-7-4-8-19-39/h3-37H,1-2H3
InChIKeyGOLPJVCQAGSZSK-UHFFFAOYSA-N
MW743.95 g/mol
LogP14.77
Rot. Bonds5

About 12,12-dimethyl-N,N-bis(4-phenylphenyl)spiro[benzo[a]anthracene-7,9'-xanthene]-4'-amine

12,12-dimethyl-N,N-bis(4-phenylphenyl)spiro[benzo[a]anthracene-7,9'-xanthene]-4'-amine (PubChem CID 161304661) has the molecular formula C56H41NO and a molecular weight of 743.95 g/mol. Its IUPAC name is 12,12-dimethyl-N,N-bis(4-phenylphenyl)spiro[benzo[a]anthracene-7,9'-xanthene]-4'-amine.

Molecular Properties

Compound Name12,12-dimethyl-N,N-bis(4-phenylphenyl)spiro[benzo[a]anthracene-7,9'-xanthene]-4'-amine
PubChem CID161304661
Molecular FormulaC56H41NO
Molecular Weight743.95 g/mol
Exact Mass743.32
IUPAC Name12,12-dimethyl-N,N-bis(4-phenylphenyl)spiro[benzo[a]anthracene-7,9'-xanthene]-4'-amine
SMILESCC1(C)c2ccccc2C2(c3ccccc3Oc3c(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cccc32)c2ccc3ccccc3c21
InChIInChI=1S/C56H41NO/c1-55(2)46-22-11-12-23-47(46)56(49-37-32-42-20-9-10-21-45(42)53(49)55)48-24-13-14-27-52(48)58-54-50(56)25-15-26-51(54)57(43-33-28-40(29-34-43)38-16-5-3-6-17-38)44-35-30-41(31-36-44)39-18-7-4-8-19-39/h3-37H,1-2H3
InChIKeyGOLPJVCQAGSZSK-UHFFFAOYSA-N
XLogP14.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.95
LogP ≤ 514.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 118133946
N-[4-(12,12-dimethylspiro[benzo[a]anthracene-7,9'-thioxanthene]-4'-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 158479968
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-11-amine
CID 164730939
N-(4-dibenzo-p-dioxin-1-ylphenyl)-9,9-dimethyl-N-naphthalen-1-ylxanthen-4-amine
CID 118134072
N-naphthalen-1-yl-N,9,9-triphenylxanthen-4-amine
CID 118134128
N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)naphthalen-1-amine
CID 167176862
N-[4-(9,9-diphenylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 118134188
N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine
CID 140918851
N-naphtho[1,2-b][1]benzofuran-1-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4'-amine
CID 167277352
N-[4-(12,12-dimethylspiro[benzo[a]anthracene-7,9'-thioxanthene]-4'-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158479969
4-N,4-N-bis(3-phenylphenyl)-3-N',3-N'-bis(4-phenylphenyl)-9,9'-spirobi[xanthene]-3',4-diamine;4-N-(9,9-dimethylfluoren-2-yl)-2-N'-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-N',4-N-bis(3-phenylphenyl)-9,9'-spirobi[xanthene]-2',4-diamine;2-N',2-N',4-N,4-N-tetraphenyl-9,9'-spirobi[xanthene]-2',4-diamine
CID 158594028
N-[4-(4-bromophenyl)phenyl]-N-phenylspiro[fluorene-9,9'-xanthene]-4'-amine
CID 155239548

Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyl-N,N-bis(4-phenylphenyl)spiro[benzo[a]anthracene-7,9'-xanthene]-4'-amine?
The IUPAC name of 12,12-dimethyl-N,N-bis(4-phenylphenyl)spiro[benzo[a]anthracene-7,9'-xanthene]-4'-amine (CID 161304661) is 12,12-dimethyl-N,N-bis(4-phenylphenyl)spiro[benzo[a]anthracene-7,9'-xanthene]-4'-amine.
What is the SMILES notation for 12,12-dimethyl-N,N-bis(4-phenylphenyl)spiro[benzo[a]anthracene-7,9'-xanthene]-4'-amine?
The canonical SMILES for 12,12-dimethyl-N,N-bis(4-phenylphenyl)spiro[benzo[a]anthracene-7,9'-xanthene]-4'-amine is CC1(C)c2ccccc2C2(c3ccccc3Oc3c(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cccc32)c2ccc3ccccc3c21.
What is the InChIKey of 12,12-dimethyl-N,N-bis(4-phenylphenyl)spiro[benzo[a]anthracene-7,9'-xanthene]-4'-amine?
The InChIKey is GOLPJVCQAGSZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H41NO/c1-55(2)46-22-11-12-23-47(46)56(49-37-32-42-20-9-10-21-45(42)53(49)55)48-24-13-14-27-52(48)58-54-50(56)25-15-26-51(54)57(43-33-28-40(29-34-43)38-16-5-3-6-17-38)44-35-30-41(31-36-44)39-18-7-4-8-19-39/h3-37H,1-2H3.
What are the key properties of 12,12-dimethyl-N,N-bis(4-phenylphenyl)spiro[benzo[a]anthracene-7,9'-xanthene]-4'-amine?
12,12-dimethyl-N,N-bis(4-phenylphenyl)spiro[benzo[a]anthracene-7,9'-xanthene]-4'-amine has a molecular weight of 743.95 g/mol, XLogP of 14.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dimethyl-N,N-bis(4-phenylphenyl)spiro[benzo[a]anthracene-7,9'-xanthene]-4'-amine is sourced from PubChem (CID 161304661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).