N,N-bis(4-tert-butylphenyl)-4',4'-dimethylspiro[fluorene-9,15'-heptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene]-6'-amine

C60H51N — CID 153278231

IUPACN,N-bis(4-tert-butylphenyl)-4',4'-dimethylspiro[fluorene-9,15'-heptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene]-6'-amine
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cccc3c2C(C)(C)c2c-3ccc3c2-c2ccc4c5c(ccc(c25)C32c3ccccc3-c3ccccc32)C=C4)cc1
InChIInChI=1S/C60H51N/c1-57(2,3)38-24-28-40(29-25-38)61(41-30-26-39(27-31-41)58(4,5)6)51-19-13-16-44-45-33-35-50-54(56(45)59(7,8)55(44)51)46-32-22-36-20-21-37-23-34-49(53(46)52(36)37)60(50)47-17-11-9-14-42(47)43-15-10-12-18-48(43)60/h9-35H,1-8H3
InChIKeyWMKHEEJJGKVSAA-UHFFFAOYSA-N
MW786.07 g/mol
LogP16.04
Rot. Bonds3

About N,N-bis(4-tert-butylphenyl)-4',4'-dimethylspiro[fluorene-9,15'-heptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene]-6'-amine

N,N-bis(4-tert-butylphenyl)-4',4'-dimethylspiro[fluorene-9,15'-heptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene]-6'-amine (PubChem CID 153278231) has the molecular formula C60H51N and a molecular weight of 786.07 g/mol. Its IUPAC name is N,N-bis(4-tert-butylphenyl)-4',4'-dimethylspiro[fluorene-9,15'-heptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene]-6'-amine.

Molecular Properties

Compound NameN,N-bis(4-tert-butylphenyl)-4',4'-dimethylspiro[fluorene-9,15'-heptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene]-6'-amine
PubChem CID153278231
Molecular FormulaC60H51N
Molecular Weight786.07 g/mol
Exact Mass785.40
IUPAC NameN,N-bis(4-tert-butylphenyl)-4',4'-dimethylspiro[fluorene-9,15'-heptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene]-6'-amine
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cccc3c2C(C)(C)c2c-3ccc3c2-c2ccc4c5c(ccc(c25)C32c3ccccc3-c3ccccc32)C=C4)cc1
InChIInChI=1S/C60H51N/c1-57(2,3)38-24-28-40(29-25-38)61(41-30-26-39(27-31-41)58(4,5)6)51-19-13-16-44-45-33-35-50-54(56(45)59(7,8)55(44)51)46-32-22-36-20-21-37-23-34-49(53(46)52(36)37)60(50)47-17-11-9-14-42(47)43-15-10-12-18-48(43)60/h9-35H,1-8H3
InChIKeyWMKHEEJJGKVSAA-UHFFFAOYSA-N
XLogP16.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.07
LogP ≤ 516.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-bis(4-tert-butylphenyl)-4',4'-dimethylspiro[fluorene-9,15'-heptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene]-6'-amine with MolForge

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Related Compounds

N,N-bis(4-tert-butylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-amine
CID 121391781
2',7'-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-1-amine
CID 142508986
N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-2-amine
CID 170144171
1'-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 168750159
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 153307449
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-[3-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 156573360
N-[9,9-bis(3-tert-butylphenyl)fluoren-1-yl]-2-tert-butyl-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 177067110
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[3-ethyl-4-(2-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 146542310
N-(4-tert-butylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164529165
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 165384797
N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-1-amine
CID 170144166
9,9-bis(4-tert-butylphenyl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]fluoren-2-amine
CID 170216975

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-tert-butylphenyl)-4',4'-dimethylspiro[fluorene-9,15'-heptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene]-6'-amine?
The IUPAC name of N,N-bis(4-tert-butylphenyl)-4',4'-dimethylspiro[fluorene-9,15'-heptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene]-6'-amine (CID 153278231) is N,N-bis(4-tert-butylphenyl)-4',4'-dimethylspiro[fluorene-9,15'-heptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene]-6'-amine.
What is the SMILES notation for N,N-bis(4-tert-butylphenyl)-4',4'-dimethylspiro[fluorene-9,15'-heptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene]-6'-amine?
The canonical SMILES for N,N-bis(4-tert-butylphenyl)-4',4'-dimethylspiro[fluorene-9,15'-heptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene]-6'-amine is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cccc3c2C(C)(C)c2c-3ccc3c2-c2ccc4c5c(ccc(c25)C32c3ccccc3-c3ccccc32)C=C4)cc1.
What is the InChIKey of N,N-bis(4-tert-butylphenyl)-4',4'-dimethylspiro[fluorene-9,15'-heptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene]-6'-amine?
The InChIKey is WMKHEEJJGKVSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H51N/c1-57(2,3)38-24-28-40(29-25-38)61(41-30-26-39(27-31-41)58(4,5)6)51-19-13-16-44-45-33-35-50-54(56(45)59(7,8)55(44)51)46-32-22-36-20-21-37-23-34-49(53(46)52(36)37)60(50)47-17-11-9-14-42(47)43-15-10-12-18-48(43)60/h9-35H,1-8H3.
What are the key properties of N,N-bis(4-tert-butylphenyl)-4',4'-dimethylspiro[fluorene-9,15'-heptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene]-6'-amine?
N,N-bis(4-tert-butylphenyl)-4',4'-dimethylspiro[fluorene-9,15'-heptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene]-6'-amine has a molecular weight of 786.07 g/mol, XLogP of 16.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-tert-butylphenyl)-4',4'-dimethylspiro[fluorene-9,15'-heptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene]-6'-amine is sourced from PubChem (CID 153278231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).