N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2',7'-bis(1,4,4-trimethylcyclohexyl)-9,9'-spirobi[fluorene]-4-amine

C70H69N — CID 169286046

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2',7'-bis(1,4,4-trimethylcyclohexyl)-9,9'-spirobi[fluorene]-4-amine
SMILESCC1(C)CCC(C)(c2ccc3c(c2)C2(c4cc(C5(C)CCC(C)(C)CC5)ccc4-3)c3ccccc3-c3c(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc4-c4ccccc4)cccc32)CC1
InChIInChI=1S/C70H69N/c1-65(2)35-39-68(7,40-36-65)47-29-32-53-54-33-30-48(69(8)41-37-66(3,4)38-42-69)44-61(54)70(60(53)43-47)57-25-16-13-23-55(57)64-58(70)26-18-28-63(64)71(62-27-17-14-21-50(62)46-19-10-9-11-20-46)49-31-34-52-51-22-12-15-24-56(51)67(5,6)59(52)45-49/h9-34,43-45H,35-42H2,1-8H3
InChIKeyUWPDVXWNIBNEKR-UHFFFAOYSA-N
MW924.33 g/mol
LogP19.19
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2',7'-bis(1,4,4-trimethylcyclohexyl)-9,9'-spirobi[fluorene]-4-amine

N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2',7'-bis(1,4,4-trimethylcyclohexyl)-9,9'-spirobi[fluorene]-4-amine (PubChem CID 169286046) has the molecular formula C70H69N and a molecular weight of 924.33 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2',7'-bis(1,4,4-trimethylcyclohexyl)-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2',7'-bis(1,4,4-trimethylcyclohexyl)-9,9'-spirobi[fluorene]-4-amine
PubChem CID169286046
Molecular FormulaC70H69N
Molecular Weight924.33 g/mol
Exact Mass923.54
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2',7'-bis(1,4,4-trimethylcyclohexyl)-9,9'-spirobi[fluorene]-4-amine
SMILESCC1(C)CCC(C)(c2ccc3c(c2)C2(c4cc(C5(C)CCC(C)(C)CC5)ccc4-3)c3ccccc3-c3c(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc4-c4ccccc4)cccc32)CC1
InChIInChI=1S/C70H69N/c1-65(2)35-39-68(7,40-36-65)47-29-32-53-54-33-30-48(69(8)41-37-66(3,4)38-42-69)44-61(54)70(60(53)43-47)57-25-16-13-23-55(57)64-58(70)26-18-28-63(64)71(62-27-17-14-21-50(62)46-19-10-9-11-20-46)49-31-34-52-51-22-12-15-24-56(51)67(5,6)59(52)45-49/h9-34,43-45H,35-42H2,1-8H3
InChIKeyUWPDVXWNIBNEKR-UHFFFAOYSA-N
XLogP19.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500924.33
LogP ≤ 519.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-4'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258991
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 126548400
2-N'-(9,9-dimethylfluoren-2-yl)-2-N'-phenyl-4-N-(2-phenylphenyl)-4-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915496
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 138631295
N-(9,9-dimethylfluoren-4-yl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 121285745
2',7'-bis(4-deuteriooxan-4-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 169286020
23,23-dimethyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-amine
CID 155790988
N-(9,9-dimethylfluoren-2-yl)-2,5'-diphenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 154588633
N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2',7'-di(spiro[4.4]nonan-3-yl)-9,9'-spirobi[fluorene]-4-amine
CID 169286039
N-(9,9-dimethylfluoren-2-yl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 129267147
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine
CID 142480849
2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenyl-9,9'-spirobi[fluorene]-2,5-diamine
CID 137448787

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2',7'-bis(1,4,4-trimethylcyclohexyl)-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2',7'-bis(1,4,4-trimethylcyclohexyl)-9,9'-spirobi[fluorene]-4-amine (CID 169286046) is N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2',7'-bis(1,4,4-trimethylcyclohexyl)-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2',7'-bis(1,4,4-trimethylcyclohexyl)-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2',7'-bis(1,4,4-trimethylcyclohexyl)-9,9'-spirobi[fluorene]-4-amine is CC1(C)CCC(C)(c2ccc3c(c2)C2(c4cc(C5(C)CCC(C)(C)CC5)ccc4-3)c3ccccc3-c3c(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc4-c4ccccc4)cccc32)CC1.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2',7'-bis(1,4,4-trimethylcyclohexyl)-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is UWPDVXWNIBNEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H69N/c1-65(2)35-39-68(7,40-36-65)47-29-32-53-54-33-30-48(69(8)41-37-66(3,4)38-42-69)44-61(54)70(60(53)43-47)57-25-16-13-23-55(57)64-58(70)26-18-28-63(64)71(62-27-17-14-21-50(62)46-19-10-9-11-20-46)49-31-34-52-51-22-12-15-24-56(51)67(5,6)59(52)45-49/h9-34,43-45H,35-42H2,1-8H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2',7'-bis(1,4,4-trimethylcyclohexyl)-9,9'-spirobi[fluorene]-4-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2',7'-bis(1,4,4-trimethylcyclohexyl)-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 924.33 g/mol, XLogP of 19.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2',7'-bis(1,4,4-trimethylcyclohexyl)-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 169286046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).