N-(9,9-dimethylfluoren-2-yl)-2,4,6-triethyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[cyclohexane-1,9'-fluorene]-4'-amine

C56H57N — CID 168722410

IUPACN-(9,9-dimethylfluoren-2-yl)-2,4,6-triethyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[cyclohexane-1,9'-fluorene]-4'-amine
SMILESCCC1CC(CC)C2(c3ccccc3-c3c(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5c(c4)C4(CCCC4)c4ccccc4-5)cccc32)C(CC)C1
InChIInChI=1S/C56H57N/c1-6-36-32-37(7-2)56(38(8-3)33-36)48-23-14-11-20-45(48)53-49(56)24-17-25-52(53)57(39-26-28-43-41-18-9-12-21-46(41)54(4,5)50(43)34-39)40-27-29-44-42-19-10-13-22-47(42)55(51(44)35-40)30-15-16-31-55/h9-14,17-29,34-38H,6-8,15-16,30-33H2,1-5H3
InChIKeyKDGXJYMUFCBTBX-UHFFFAOYSA-N
MW744.08 g/mol
LogP15.44
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-2,4,6-triethyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[cyclohexane-1,9'-fluorene]-4'-amine

N-(9,9-dimethylfluoren-2-yl)-2,4,6-triethyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[cyclohexane-1,9'-fluorene]-4'-amine (PubChem CID 168722410) has the molecular formula C56H57N and a molecular weight of 744.08 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-2,4,6-triethyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[cyclohexane-1,9'-fluorene]-4'-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-2,4,6-triethyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[cyclohexane-1,9'-fluorene]-4'-amine
PubChem CID168722410
Molecular FormulaC56H57N
Molecular Weight744.08 g/mol
Exact Mass743.45
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-2,4,6-triethyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[cyclohexane-1,9'-fluorene]-4'-amine
SMILESCCC1CC(CC)C2(c3ccccc3-c3c(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5c(c4)C4(CCCC4)c4ccccc4-5)cccc32)C(CC)C1
InChIInChI=1S/C56H57N/c1-6-36-32-37(7-2)56(38(8-3)33-36)48-23-14-11-20-45(48)53-49(56)24-17-25-52(53)57(39-26-28-43-41-18-9-12-21-46(41)54(4,5)50(43)34-39)40-27-29-44-42-19-10-13-22-47(42)55(51(44)35-40)30-15-16-31-55/h9-14,17-29,34-38H,6-8,15-16,30-33H2,1-5H3
InChIKeyKDGXJYMUFCBTBX-UHFFFAOYSA-N
XLogP15.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.08
LogP ≤ 515.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(9,9-dimethylfluoren-2-yl)-2,4,6-triethyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[cyclohexane-1,9'-fluorene]-4'-amine with MolForge

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Related Compounds

2,4,6-triethyl-N-(3-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[cyclohexane-1,9'-fluorene]-4'-amine
CID 168722514
N-(9,9-dimethylfluoren-4-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170217348
N-[4-(4-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 168722415
1-N-(9,9-dimethylfluoren-2-yl)-4-N-[4-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)-N-naphthalen-1-ylanilino]phenyl]phenyl]-4-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;4-N-(9,9-dimethylfluoren-2-yl)-1-N-[4-[4-(N-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;1-N,4-N-diphenyl-4-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-1-N-[4-[4-(N-[4-(N-spiro[cyclohexane-1,9'-fluorene]-2'-ylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;4-N-naphthalen-1-yl-4-N-[4-[4-[N-naphthalen-1-yl-4-(N-spiro[cyclohexane-1,9'-fluorene]-2'-ylanilino)anilino]phenyl]phenyl]-1-N-phenyl-1-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine
CID 158953049
N-(3-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 168723059
N-(9,9-dimethylfluoren-2-yl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170217448
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170217349
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-(9,9-dimethylfluoren-2-yl)-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-amine
CID 168722320
N-[4-(4-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 165384788
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(2-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)fluoren-2-amine
CID 170144049
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170217768

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-2,4,6-triethyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[cyclohexane-1,9'-fluorene]-4'-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-2,4,6-triethyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[cyclohexane-1,9'-fluorene]-4'-amine (CID 168722410) is N-(9,9-dimethylfluoren-2-yl)-2,4,6-triethyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[cyclohexane-1,9'-fluorene]-4'-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-2,4,6-triethyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[cyclohexane-1,9'-fluorene]-4'-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-2,4,6-triethyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[cyclohexane-1,9'-fluorene]-4'-amine is CCC1CC(CC)C2(c3ccccc3-c3c(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5c(c4)C4(CCCC4)c4ccccc4-5)cccc32)C(CC)C1.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-2,4,6-triethyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[cyclohexane-1,9'-fluorene]-4'-amine?
The InChIKey is KDGXJYMUFCBTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H57N/c1-6-36-32-37(7-2)56(38(8-3)33-36)48-23-14-11-20-45(48)53-49(56)24-17-25-52(53)57(39-26-28-43-41-18-9-12-21-46(41)54(4,5)50(43)34-39)40-27-29-44-42-19-10-13-22-47(42)55(51(44)35-40)30-15-16-31-55/h9-14,17-29,34-38H,6-8,15-16,30-33H2,1-5H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-2,4,6-triethyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[cyclohexane-1,9'-fluorene]-4'-amine?
N-(9,9-dimethylfluoren-2-yl)-2,4,6-triethyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[cyclohexane-1,9'-fluorene]-4'-amine has a molecular weight of 744.08 g/mol, XLogP of 15.44, 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)-2,4,6-triethyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[cyclohexane-1,9'-fluorene]-4'-amine is sourced from PubChem (CID 168722410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).