N-[3-methyl-4-(2-methylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-2-amine

C57H45N — CID 66807476

IUPACN-[3-methyl-4-(2-methylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-2-amine
SMILESCc1ccccc1-c1ccc(N(c2ccc3c(c2)C2(CCCCC2)c2ccccc2-3)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1C
InChIInChI=1S/C57H45N/c1-37-16-4-5-17-42(37)43-29-26-39(34-38(43)2)58(40-27-30-48-44-18-6-10-22-50(44)56(54(48)35-40)32-14-3-15-33-56)41-28-31-49-47-21-9-13-25-53(47)57(55(49)36-41)51-23-11-7-19-45(51)46-20-8-12-24-52(46)57/h4-13,16-31,34-36H,3,14-15,32-33H2,1-2H3
InChIKeyRHELWYIPFRRQRM-UHFFFAOYSA-N
MW743.99 g/mol
LogP15.01
Rot. Bonds4

About N-[3-methyl-4-(2-methylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-2-amine

N-[3-methyl-4-(2-methylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-2-amine (PubChem CID 66807476) has the molecular formula C57H45N and a molecular weight of 743.99 g/mol. Its IUPAC name is N-[3-methyl-4-(2-methylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-[3-methyl-4-(2-methylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-2-amine
PubChem CID66807476
Molecular FormulaC57H45N
Molecular Weight743.99 g/mol
Exact Mass743.36
IUPAC NameN-[3-methyl-4-(2-methylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-2-amine
SMILESCc1ccccc1-c1ccc(N(c2ccc3c(c2)C2(CCCCC2)c2ccccc2-3)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1C
InChIInChI=1S/C57H45N/c1-37-16-4-5-17-42(37)43-29-26-39(34-38(43)2)58(40-27-30-48-44-18-6-10-22-50(44)56(54(48)35-40)32-14-3-15-33-56)41-28-31-49-47-21-9-13-25-53(47)57(55(49)36-41)51-23-11-7-19-45(51)46-20-8-12-24-52(46)57/h4-13,16-31,34-36H,3,14-15,32-33H2,1-2H3
InChIKeyRHELWYIPFRRQRM-UHFFFAOYSA-N
XLogP15.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.99
LogP ≤ 515.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-methyl-4-(2-methylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-5,5'-spirobi[benzo[b][1]benzosilole]-3-amine
CID 166025165
N-(9,9-diphenylfluoren-2-yl)-N-[3-methyl-4-(2-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 118298477
N-(9,9-diphenylfluoren-2-yl)-N-[3-methyl-4-(2-methylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
CID 118298184
N-(2-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-2-amine
CID 66807438
3-methyl-4-(2-methylphenyl)-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 145025124
11-N',11-N',17-N',17-N'-tetrakis(3,4-dimethylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130262272
ethane;3-methyl-4-(2-methylphenyl)-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 145025123
2-N-[4-(N-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]anilino)phenyl]-9,9-dimethyl-2-N,7-N,7-N-triphenylfluorene-2,7-diamine;2-N',7-N',7-N'-triphenyl-2-N'-[4-(N-[7'-(N-phenylanilino)spiro[cyclohexane-1,9'-fluorene]-2'-yl]anilino)phenyl]spiro[cyclohexane-1,9'-fluorene]-2',7'-diamine
CID 159780525
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(4-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-3'-yl-9,9'-spirobi[fluorene]-2-amine
CID 157324927
3'-phenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729094
7-N'-phenyl-2-N',2-N'-bis(4-phenylphenyl)-7-N'-[4-[4-(N-[7'-(4-phenyl-N-(4-phenylphenyl)anilino)spiro[cyclohexane-1,9'-fluorene]-2'-yl]anilino)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2',7'-diamine
CID 59025081
N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 90277845

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(2-methylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-[3-methyl-4-(2-methylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-2-amine (CID 66807476) is N-[3-methyl-4-(2-methylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-[3-methyl-4-(2-methylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-[3-methyl-4-(2-methylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-2-amine is Cc1ccccc1-c1ccc(N(c2ccc3c(c2)C2(CCCCC2)c2ccccc2-3)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1C.
What is the InChIKey of N-[3-methyl-4-(2-methylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is RHELWYIPFRRQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H45N/c1-37-16-4-5-17-42(37)43-29-26-39(34-38(43)2)58(40-27-30-48-44-18-6-10-22-50(44)56(54(48)35-40)32-14-3-15-33-56)41-28-31-49-47-21-9-13-25-53(47)57(55(49)36-41)51-23-11-7-19-45(51)46-20-8-12-24-52(46)57/h4-13,16-31,34-36H,3,14-15,32-33H2,1-2H3.
What are the key properties of N-[3-methyl-4-(2-methylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-2-amine?
N-[3-methyl-4-(2-methylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 743.99 g/mol, XLogP of 15.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(2-methylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 66807476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).