N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine

C60H51N — CID 170143772

IUPACN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(N(c4ccc5c(c4)-c4ccccc4C54CCCCC4)c4ccccc4-c4cccc5c4-c4ccccc4C5(C)C)c3)cc21
InChIInChI=1S/C60H51N/c1-58(2)51-26-11-8-23-48(51)57-47(24-17-28-54(57)58)46-22-9-13-29-56(46)61(42-31-33-53-49(38-42)44-21-7-12-27-52(44)60(53)34-14-5-15-35-60)41-19-16-18-39(36-41)40-30-32-45-43-20-6-10-25-50(43)59(3,4)55(45)37-40/h6-13,16-33,36-38H,5,14-15,34-35H2,1-4H3
InChIKeyNSPJZCPEMMGYGK-UHFFFAOYSA-N
MW786.08 g/mol
LogP16.33
Rot. Bonds5

About N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine

N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine (PubChem CID 170143772) has the molecular formula C60H51N and a molecular weight of 786.08 g/mol. Its IUPAC name is N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine.

Molecular Properties

Compound NameN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine
PubChem CID170143772
Molecular FormulaC60H51N
Molecular Weight786.08 g/mol
Exact Mass785.40
IUPAC NameN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(N(c4ccc5c(c4)-c4ccccc4C54CCCCC4)c4ccccc4-c4cccc5c4-c4ccccc4C5(C)C)c3)cc21
InChIInChI=1S/C60H51N/c1-58(2)51-26-11-8-23-48(51)57-47(24-17-28-54(57)58)46-22-9-13-29-56(46)61(42-31-33-53-49(38-42)44-21-7-12-27-52(44)60(53)34-14-5-15-35-60)41-19-16-18-39(36-41)40-30-32-45-43-20-6-10-25-50(43)59(3,4)55(45)37-40/h6-13,16-33,36-38H,5,14-15,34-35H2,1-4H3
InChIKeyNSPJZCPEMMGYGK-UHFFFAOYSA-N
XLogP16.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.08
LogP ≤ 516.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-3'-amine
CID 170143737
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 170143467
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-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 170143527
2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 170142044
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
2-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]aniline
CID 170142520
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 170143480
N,N-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 154972869
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170142050
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-3,4-diphenylaniline
CID 170142171

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine?
The IUPAC name of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine (CID 170143772) is N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine.
What is the SMILES notation for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine?
The canonical SMILES for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine is CC1(C)c2ccccc2-c2ccc(-c3cccc(N(c4ccc5c(c4)-c4ccccc4C54CCCCC4)c4ccccc4-c4cccc5c4-c4ccccc4C5(C)C)c3)cc21.
What is the InChIKey of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine?
The InChIKey is NSPJZCPEMMGYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H51N/c1-58(2)51-26-11-8-23-48(51)57-47(24-17-28-54(57)58)46-22-9-13-29-56(46)61(42-31-33-53-49(38-42)44-21-7-12-27-52(44)60(53)34-14-5-15-35-60)41-19-16-18-39(36-41)40-30-32-45-43-20-6-10-25-50(43)59(3,4)55(45)37-40/h6-13,16-33,36-38H,5,14-15,34-35H2,1-4H3.
What are the key properties of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine?
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine has a molecular weight of 786.08 g/mol, XLogP of 16.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine is sourced from PubChem (CID 170143772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).