N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-phenanthren-2-ylphenyl)spiro[cyclopentane-1,9'-fluorene]-2'-amine

C58H45N — CID 170216077

IUPACN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-phenanthren-2-ylphenyl)spiro[cyclopentane-1,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc5c(c4)C4(CCCC4)c4ccccc4-5)c4ccccc4-c4ccc5c(ccc6ccccc65)c4)cc3)c21
InChIInChI=1S/C58H45N/c1-57(2)52-21-8-5-18-49(52)51-20-13-19-47(56(51)57)39-26-29-42(30-27-39)59(43-31-33-50-48-17-6-9-22-53(48)58(54(50)37-43)34-11-12-35-58)55-23-10-7-16-46(55)41-28-32-45-40(36-41)25-24-38-14-3-4-15-44(38)45/h3-10,13-33,36-37H,11-12,34-35H2,1-2H3
InChIKeyAEXAKEGTZHAGOY-UHFFFAOYSA-N
MW756.01 g/mol
LogP15.94
Rot. Bonds5

About N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-phenanthren-2-ylphenyl)spiro[cyclopentane-1,9'-fluorene]-2'-amine

N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-phenanthren-2-ylphenyl)spiro[cyclopentane-1,9'-fluorene]-2'-amine (PubChem CID 170216077) has the molecular formula C58H45N and a molecular weight of 756.01 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-phenanthren-2-ylphenyl)spiro[cyclopentane-1,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-phenanthren-2-ylphenyl)spiro[cyclopentane-1,9'-fluorene]-2'-amine
PubChem CID170216077
Molecular FormulaC58H45N
Molecular Weight756.01 g/mol
Exact Mass755.36
IUPAC NameN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-phenanthren-2-ylphenyl)spiro[cyclopentane-1,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc5c(c4)C4(CCCC4)c4ccccc4-5)c4ccccc4-c4ccc5c(ccc6ccccc65)c4)cc3)c21
InChIInChI=1S/C58H45N/c1-57(2)52-21-8-5-18-49(52)51-20-13-19-47(56(51)57)39-26-29-42(30-27-39)59(43-31-33-50-48-17-6-9-22-53(48)58(54(50)37-43)34-11-12-35-58)55-23-10-7-16-46(55)41-28-32-45-40(36-41)25-24-38-14-3-4-15-44(38)45/h3-10,13-33,36-37H,11-12,34-35H2,1-2H3
InChIKeyAEXAKEGTZHAGOY-UHFFFAOYSA-N
XLogP15.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.01
LogP ≤ 515.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-naphthalen-1-ylspiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170216061
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170217272
N-[2-(4-tert-butylphenyl)phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170215895
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzothiol-7-ylphenyl)spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170217191
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170216369
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
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170216462
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170216024
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170217209
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170217158
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-[2-(3,4-diphenylphenyl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170217297

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-phenanthren-2-ylphenyl)spiro[cyclopentane-1,9'-fluorene]-2'-amine?
The IUPAC name of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-phenanthren-2-ylphenyl)spiro[cyclopentane-1,9'-fluorene]-2'-amine (CID 170216077) is N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-phenanthren-2-ylphenyl)spiro[cyclopentane-1,9'-fluorene]-2'-amine.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-phenanthren-2-ylphenyl)spiro[cyclopentane-1,9'-fluorene]-2'-amine?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-phenanthren-2-ylphenyl)spiro[cyclopentane-1,9'-fluorene]-2'-amine is CC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc5c(c4)C4(CCCC4)c4ccccc4-5)c4ccccc4-c4ccc5c(ccc6ccccc65)c4)cc3)c21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-phenanthren-2-ylphenyl)spiro[cyclopentane-1,9'-fluorene]-2'-amine?
The InChIKey is AEXAKEGTZHAGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H45N/c1-57(2)52-21-8-5-18-49(52)51-20-13-19-47(56(51)57)39-26-29-42(30-27-39)59(43-31-33-50-48-17-6-9-22-53(48)58(54(50)37-43)34-11-12-35-58)55-23-10-7-16-46(55)41-28-32-45-40(36-41)25-24-38-14-3-4-15-44(38)45/h3-10,13-33,36-37H,11-12,34-35H2,1-2H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-phenanthren-2-ylphenyl)spiro[cyclopentane-1,9'-fluorene]-2'-amine?
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-phenanthren-2-ylphenyl)spiro[cyclopentane-1,9'-fluorene]-2'-amine has a molecular weight of 756.01 g/mol, XLogP of 15.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-phenanthren-2-ylphenyl)spiro[cyclopentane-1,9'-fluorene]-2'-amine is sourced from PubChem (CID 170216077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).