(1Z,3E,5S)-1-[3-(2-methyl-5-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-3,5-diphenylhexa-1,3-dien-1-amine

C56H43NO — CID 174328117

IUPAC(1Z,3E,5S)-1-[3-(2-methyl-5-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-3,5-diphenylhexa-1,3-dien-1-amine
SMILESCc1ccc(-c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3ccccc32)cc1-c1cccc(/C(N)=C/C(=C\[C@H](C)c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C56H43NO/c1-37-28-29-41(34-48(37)43-20-15-21-44(33-43)53(57)36-45(40-18-7-4-8-19-40)32-38(2)39-16-5-3-6-17-39)42-30-31-55-52(35-42)56(51-26-13-14-27-54(51)58-55)49-24-11-9-22-46(49)47-23-10-12-25-50(47)56/h3-36,38H,57H2,1-2H3/b45-32+,53-36-/t38-/m0/s1
InChIKeyNRRBRNQACPNOKD-IODCMGCDSA-N
MW745.97 g/mol
LogP13.98
Rot. Bonds7

About (1Z,3E,5S)-1-[3-(2-methyl-5-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-3,5-diphenylhexa-1,3-dien-1-amine

(1Z,3E,5S)-1-[3-(2-methyl-5-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-3,5-diphenylhexa-1,3-dien-1-amine (PubChem CID 174328117) has the molecular formula C56H43NO and a molecular weight of 745.97 g/mol. Its IUPAC name is (1Z,3E,5S)-1-[3-(2-methyl-5-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-3,5-diphenylhexa-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E,5S)-1-[3-(2-methyl-5-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-3,5-diphenylhexa-1,3-dien-1-amine
PubChem CID174328117
Molecular FormulaC56H43NO
Molecular Weight745.97 g/mol
Exact Mass745.33
IUPAC Name(1Z,3E,5S)-1-[3-(2-methyl-5-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-3,5-diphenylhexa-1,3-dien-1-amine
SMILESCc1ccc(-c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3ccccc32)cc1-c1cccc(/C(N)=C/C(=C\[C@H](C)c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C56H43NO/c1-37-28-29-41(34-48(37)43-20-15-21-44(33-43)53(57)36-45(40-18-7-4-8-19-40)32-38(2)39-16-5-3-6-17-39)42-30-31-55-52(35-42)56(51-26-13-14-27-54(51)58-55)49-24-11-9-22-46(49)47-23-10-12-25-50(47)56/h3-36,38H,57H2,1-2H3/b45-32+,53-36-/t38-/m0/s1
InChIKeyNRRBRNQACPNOKD-IODCMGCDSA-N
XLogP13.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.97
LogP ≤ 513.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-methyl-3-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 174328199
9-(2-methylphenyl)-9-[2-methyl-4-[3-[(Z)-3-phenyl-1-(3-phenylphenyl)but-1-enyl]phenyl]phenyl]fluorene
CID 142469923
2,4-bis(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130378933
2-phenyl-4-(3-phenylphenyl)-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyrimidine
CID 130380047
3-methyl-2'-phenylspiro[fluorene-9,9'-xanthene]
CID 170243199
4-phenyl-6-(3-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379969
4-phenyl-6-(3-phenylphenyl)-2-[4-[7'-[3-[4-[6-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine
CID 155443385
4-phenyl-6-(3-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 140947343
2-phenyl-4-(3-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379672
2'-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]
CID 170018367
9,9-diphenyl-2-(9,9'-spirobi[fluorene]-2-yl)xanthene
CID 170017165
2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine
CID 139521184

Frequently Asked Questions

What is the IUPAC name of (1Z,3E,5S)-1-[3-(2-methyl-5-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-3,5-diphenylhexa-1,3-dien-1-amine?
The IUPAC name of (1Z,3E,5S)-1-[3-(2-methyl-5-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-3,5-diphenylhexa-1,3-dien-1-amine (CID 174328117) is (1Z,3E,5S)-1-[3-(2-methyl-5-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-3,5-diphenylhexa-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3E,5S)-1-[3-(2-methyl-5-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-3,5-diphenylhexa-1,3-dien-1-amine?
The canonical SMILES for (1Z,3E,5S)-1-[3-(2-methyl-5-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-3,5-diphenylhexa-1,3-dien-1-amine is Cc1ccc(-c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3ccccc32)cc1-c1cccc(/C(N)=C/C(=C\[C@H](C)c2ccccc2)c2ccccc2)c1.
What is the InChIKey of (1Z,3E,5S)-1-[3-(2-methyl-5-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-3,5-diphenylhexa-1,3-dien-1-amine?
The InChIKey is NRRBRNQACPNOKD-IODCMGCDSA-N. The full InChI is InChI=1S/C56H43NO/c1-37-28-29-41(34-48(37)43-20-15-21-44(33-43)53(57)36-45(40-18-7-4-8-19-40)32-38(2)39-16-5-3-6-17-39)42-30-31-55-52(35-42)56(51-26-13-14-27-54(51)58-55)49-24-11-9-22-46(49)47-23-10-12-25-50(47)56/h3-36,38H,57H2,1-2H3/b45-32+,53-36-/t38-/m0/s1.
What are the key properties of (1Z,3E,5S)-1-[3-(2-methyl-5-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-3,5-diphenylhexa-1,3-dien-1-amine?
(1Z,3E,5S)-1-[3-(2-methyl-5-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-3,5-diphenylhexa-1,3-dien-1-amine has a molecular weight of 745.97 g/mol, XLogP of 13.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,5S)-1-[3-(2-methyl-5-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-3,5-diphenylhexa-1,3-dien-1-amine is sourced from PubChem (CID 174328117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).