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

C51H45N — CID 121391781

IUPACN,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
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C51H45N/c1-49(2,3)34-26-30-36(31-27-34)52(37-32-28-35(29-33-37)50(4,5)6)47-25-15-24-46-48(47)42-20-11-14-23-45(42)51(46)43-21-12-9-18-40(43)38-16-7-8-17-39(38)41-19-10-13-22-44(41)51/h7-33H,1-6H3
InChIKeyIKMCLUHYQVIBAW-UHFFFAOYSA-N
MW671.93 g/mol
LogP13.76
Rot. Bonds3

About 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

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 (PubChem CID 121391781) has the molecular formula C51H45N and a molecular weight of 671.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID121391781
Molecular FormulaC51H45N
Molecular Weight671.93 g/mol
Exact Mass671.36
IUPAC NameN,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
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C51H45N/c1-49(2,3)34-26-30-36(31-27-34)52(37-32-28-35(29-33-37)50(4,5)6)47-25-15-24-46-48(47)42-20-11-14-23-45(42)51(46)43-21-12-9-18-40(43)38-16-7-8-17-39(38)41-19-10-13-22-44(41)51/h7-33H,1-6H3
InChIKeyIKMCLUHYQVIBAW-UHFFFAOYSA-N
XLogP13.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.93
LogP ≤ 513.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

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Related Compounds

N,N-bis[4-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 171749815
2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 174159235
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 153307449
N-(4-methylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 121285757
CID 118153721
CID 118153721
1'-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 168750159
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 165384797
1-N,1-N,3-N-triphenyl-3-N-[3-[N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzene-1,3-diamine
CID 146601554
CID 118153763
CID 118153763
9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481166
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-(3-methylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 156556780
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481112

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 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?
The InChIKey is IKMCLUHYQVIBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H45N/c1-49(2,3)34-26-30-36(31-27-34)52(37-32-28-35(29-33-37)50(4,5)6)47-25-15-24-46-48(47)42-20-11-14-23-45(42)51(46)43-21-12-9-18-40(43)38-16-7-8-17-39(38)41-19-10-13-22-44(41)51/h7-33H,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 671.93 g/mol, XLogP of 13.76, 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)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 is sourced from PubChem (CID 121391781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).