2-methyl-N-[4-[4-(3-methyl-N-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)anilino)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine

C77H54N2 — CID 89334238

IUPAC2-methyl-N-[4-[4-(3-methyl-N-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)anilino)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
SMILESCc1cccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)C4(c6ccccc6-c6ccc(C)cc64)c4ccccc4-5)cc3)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccc(C)cc42)c2ccccc2-3)c1
InChIInChI=1S/C77H54N2/c1-49-16-15-19-57(44-49)79(59-39-43-67-63-23-10-14-27-71(63)77(75(67)48-59)69-25-12-8-21-61(69)65-41-29-51(3)46-73(65)77)56-36-32-53(33-37-56)52-30-34-55(35-31-52)78(54-17-5-4-6-18-54)58-38-42-66-62-22-9-13-26-70(62)76(74(66)47-58)68-24-11-7-20-60(68)64-40-28-50(2)45-72(64)76/h4-48H,1-3H3
InChIKeyYCBRKOJBGVEAHB-UHFFFAOYSA-N
MW1007.29 g/mol
LogP19.91
Rot. Bonds7

About 2-methyl-N-[4-[4-(3-methyl-N-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)anilino)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine

2-methyl-N-[4-[4-(3-methyl-N-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)anilino)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 89334238) has the molecular formula C77H54N2 and a molecular weight of 1007.29 g/mol. Its IUPAC name is 2-methyl-N-[4-[4-(3-methyl-N-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)anilino)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

Compound Name2-methyl-N-[4-[4-(3-methyl-N-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)anilino)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
PubChem CID89334238
Molecular FormulaC77H54N2
Molecular Weight1007.29 g/mol
Exact Mass1006.43
IUPAC Name2-methyl-N-[4-[4-(3-methyl-N-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)anilino)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
SMILESCc1cccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)C4(c6ccccc6-c6ccc(C)cc64)c4ccccc4-5)cc3)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccc(C)cc42)c2ccccc2-3)c1
InChIInChI=1S/C77H54N2/c1-49-16-15-19-57(44-49)79(59-39-43-67-63-23-10-14-27-71(63)77(75(67)48-59)69-25-12-8-21-61(69)65-41-29-51(3)46-73(65)77)56-36-32-53(33-37-56)52-30-34-55(35-31-52)78(54-17-5-4-6-18-54)58-38-42-66-62-22-9-13-26-70(62)76(74(66)47-58)68-24-11-7-20-60(68)64-40-28-50(2)45-72(64)76/h4-48H,1-3H3
InChIKeyYCBRKOJBGVEAHB-UHFFFAOYSA-N
XLogP19.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001007.29
LogP ≤ 519.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-(N-(2',7'-dimethyl-9,9'-spirobi[fluorene]-2-yl)anilino)phenyl]phenyl]-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 158001186
2-N'-[4-(3-methylphenyl)phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 170019632
2-methyl-N,N,7'-triphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 21042261
2-methyl-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 177067341
N-(9,9-dimethylfluoren-2-yl)-2-methyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 118298490
3-methyl-N-phenyl-N-(4-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylphenyl)aniline
CID 134352391
2-N,2-N',2-N',7-N,7-N'-pentakis(4-methylphenyl)-2-N,7-N,7-N'-triphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 129292300
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 155079035
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092
2-N',7-N'-bis(4-tert-butylphenyl)-2-N',7-N'-bis(3-methylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 153485901
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(3-methylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-methylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-phenyl-7-(4-phenylphenyl)fluoren-2-amine
CID 162180969
7-N',17-N'-bis(3-methylphenyl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine;7-N',17-N'-bis(4-methylphenyl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine
CID 158059948

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[4-(3-methyl-N-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)anilino)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine?
The IUPAC name of 2-methyl-N-[4-[4-(3-methyl-N-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)anilino)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine (CID 89334238) is 2-methyl-N-[4-[4-(3-methyl-N-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)anilino)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine.
What is the SMILES notation for 2-methyl-N-[4-[4-(3-methyl-N-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)anilino)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine?
The canonical SMILES for 2-methyl-N-[4-[4-(3-methyl-N-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)anilino)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine is Cc1cccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)C4(c6ccccc6-c6ccc(C)cc64)c4ccccc4-5)cc3)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccc(C)cc42)c2ccccc2-3)c1.
What is the InChIKey of 2-methyl-N-[4-[4-(3-methyl-N-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)anilino)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine?
The InChIKey is YCBRKOJBGVEAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H54N2/c1-49-16-15-19-57(44-49)79(59-39-43-67-63-23-10-14-27-71(63)77(75(67)48-59)69-25-12-8-21-61(69)65-41-29-51(3)46-73(65)77)56-36-32-53(33-37-56)52-30-34-55(35-31-52)78(54-17-5-4-6-18-54)58-38-42-66-62-22-9-13-26-70(62)76(74(66)47-58)68-24-11-7-20-60(68)64-40-28-50(2)45-72(64)76/h4-48H,1-3H3.
What are the key properties of 2-methyl-N-[4-[4-(3-methyl-N-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)anilino)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine?
2-methyl-N-[4-[4-(3-methyl-N-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)anilino)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 1007.29 g/mol, XLogP of 19.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[4-(3-methyl-N-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)anilino)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 89334238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).