2,4,6-triethyl-N-(3-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[cyclohexane-1,9'-fluorene]-4'-amine

C53H53N — CID 168722514

IUPAC2,4,6-triethyl-N-(3-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[cyclohexane-1,9'-fluorene]-4'-amine
SMILESCCC1CC(CC)C2(c3ccccc3-c3c(N(c4cccc(-c5ccccc5)c4)c4ccc5c(c4)C4(CCCC4)c4ccccc4-5)cccc32)C(CC)C1
InChIInChI=1S/C53H53N/c1-4-36-32-39(5-2)53(40(6-3)33-36)47-25-13-11-23-45(47)51-48(53)26-17-27-50(51)54(41-21-16-20-38(34-41)37-18-8-7-9-19-37)42-28-29-44-43-22-10-12-24-46(43)52(49(44)35-42)30-14-15-31-52/h7-13,16-29,34-36,39-40H,4-6,14-15,30-33H2,1-3H3
InChIKeyJOXIAVYTRIMSIP-UHFFFAOYSA-N
MW704.01 g/mol
LogP14.80
Rot. Bonds7

About 2,4,6-triethyl-N-(3-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[cyclohexane-1,9'-fluorene]-4'-amine

2,4,6-triethyl-N-(3-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[cyclohexane-1,9'-fluorene]-4'-amine (PubChem CID 168722514) has the molecular formula C53H53N and a molecular weight of 704.01 g/mol. Its IUPAC name is 2,4,6-triethyl-N-(3-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[cyclohexane-1,9'-fluorene]-4'-amine.

Molecular Properties

Compound Name2,4,6-triethyl-N-(3-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[cyclohexane-1,9'-fluorene]-4'-amine
PubChem CID168722514
Molecular FormulaC53H53N
Molecular Weight704.01 g/mol
Exact Mass703.42
IUPAC Name2,4,6-triethyl-N-(3-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[cyclohexane-1,9'-fluorene]-4'-amine
SMILESCCC1CC(CC)C2(c3ccccc3-c3c(N(c4cccc(-c5ccccc5)c4)c4ccc5c(c4)C4(CCCC4)c4ccccc4-5)cccc32)C(CC)C1
InChIInChI=1S/C53H53N/c1-4-36-32-39(5-2)53(40(6-3)33-36)47-25-13-11-23-45(47)51-48(53)26-17-27-50(51)54(41-21-16-20-38(34-41)37-18-8-7-9-19-37)42-28-29-44-43-22-10-12-24-46(43)52(49(44)35-42)30-14-15-31-52/h7-13,16-29,34-36,39-40H,4-6,14-15,30-33H2,1-3H3
InChIKeyJOXIAVYTRIMSIP-UHFFFAOYSA-N
XLogP14.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.01
LogP ≤ 514.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
N-(3-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 168723059
N-[4-(4-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 168722415
N-(3-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 168722293
N-(3-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170116304
1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,4-N-diphenyl-4-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine
CID 59025076
N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 58672348
N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 90277845
N-(3-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 168723014
N-(3-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 168723100
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-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 58672313

Frequently Asked Questions

What is the IUPAC name of 2,4,6-triethyl-N-(3-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[cyclohexane-1,9'-fluorene]-4'-amine?
The IUPAC name of 2,4,6-triethyl-N-(3-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[cyclohexane-1,9'-fluorene]-4'-amine (CID 168722514) is 2,4,6-triethyl-N-(3-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[cyclohexane-1,9'-fluorene]-4'-amine.
What is the SMILES notation for 2,4,6-triethyl-N-(3-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[cyclohexane-1,9'-fluorene]-4'-amine?
The canonical SMILES for 2,4,6-triethyl-N-(3-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[cyclohexane-1,9'-fluorene]-4'-amine is CCC1CC(CC)C2(c3ccccc3-c3c(N(c4cccc(-c5ccccc5)c4)c4ccc5c(c4)C4(CCCC4)c4ccccc4-5)cccc32)C(CC)C1.
What is the InChIKey of 2,4,6-triethyl-N-(3-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[cyclohexane-1,9'-fluorene]-4'-amine?
The InChIKey is JOXIAVYTRIMSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H53N/c1-4-36-32-39(5-2)53(40(6-3)33-36)47-25-13-11-23-45(47)51-48(53)26-17-27-50(51)54(41-21-16-20-38(34-41)37-18-8-7-9-19-37)42-28-29-44-43-22-10-12-24-46(43)52(49(44)35-42)30-14-15-31-52/h7-13,16-29,34-36,39-40H,4-6,14-15,30-33H2,1-3H3.
What are the key properties of 2,4,6-triethyl-N-(3-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[cyclohexane-1,9'-fluorene]-4'-amine?
2,4,6-triethyl-N-(3-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[cyclohexane-1,9'-fluorene]-4'-amine has a molecular weight of 704.01 g/mol, XLogP of 14.80, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triethyl-N-(3-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[cyclohexane-1,9'-fluorene]-4'-amine is sourced from PubChem (CID 168722514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).