N-[4-(9-cyclohexa-1,3-dien-1-yl-9-phenylfluoren-4-yl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-4-amine

C77H57N — CID 129266491

IUPACN-[4-(9-cyclohexa-1,3-dien-1-yl-9-phenylfluoren-4-yl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-4-amine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(C3=CC=CC4C3c3ccccc3C43c4ccccc4-c4ccccc43)c3ccc(-c4cccc5c4-c4ccccc4C5(C4=CC=CCC4)c4ccccc4)cc3)cc21
InChIInChI=1S/C77H57N/c1-75(2)70-48-52(50-22-6-3-7-23-50)42-46-60(70)61-47-45-56(49-71(61)75)78(72-39-21-38-69-74(72)63-31-15-19-36-67(63)77(69)64-33-16-12-28-58(64)59-29-13-17-34-65(59)77)55-43-40-51(41-44-55)57-32-20-37-68-73(57)62-30-14-18-35-66(62)76(68,53-24-8-4-9-25-53)54-26-10-5-11-27-54/h3-10,12-26,28-49,69,74H,11,27H2,1-2H3
InChIKeyQFZXIXFPJZLZAN-UHFFFAOYSA-N
MW996.31 g/mol
LogP19.24
Rot. Bonds7

About N-[4-(9-cyclohexa-1,3-dien-1-yl-9-phenylfluoren-4-yl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-4-amine

N-[4-(9-cyclohexa-1,3-dien-1-yl-9-phenylfluoren-4-yl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-4-amine (PubChem CID 129266491) has the molecular formula C77H57N and a molecular weight of 996.31 g/mol. Its IUPAC name is N-[4-(9-cyclohexa-1,3-dien-1-yl-9-phenylfluoren-4-yl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-4-amine.

Molecular Properties

Compound NameN-[4-(9-cyclohexa-1,3-dien-1-yl-9-phenylfluoren-4-yl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-4-amine
PubChem CID129266491
Molecular FormulaC77H57N
Molecular Weight996.31 g/mol
Exact Mass995.45
IUPAC NameN-[4-(9-cyclohexa-1,3-dien-1-yl-9-phenylfluoren-4-yl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-4-amine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(C3=CC=CC4C3c3ccccc3C43c4ccccc4-c4ccccc43)c3ccc(-c4cccc5c4-c4ccccc4C5(C4=CC=CCC4)c4ccccc4)cc3)cc21
InChIInChI=1S/C77H57N/c1-75(2)70-48-52(50-22-6-3-7-23-50)42-46-60(70)61-47-45-56(49-71(61)75)78(72-39-21-38-69-74(72)63-31-15-19-36-67(63)77(69)64-33-16-12-28-58(64)59-29-13-17-34-65(59)77)55-43-40-51(41-44-55)57-32-20-37-68-73(57)62-30-14-18-35-66(62)76(68,53-24-8-4-9-25-53)54-26-10-5-11-27-54/h3-10,12-26,28-49,69,74H,11,27H2,1-2H3
InChIKeyQFZXIXFPJZLZAN-UHFFFAOYSA-N
XLogP19.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500996.31
LogP ≤ 519.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[4-(9-cyclohexa-1,3-dien-1-yl-9-phenylfluoren-4-yl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-4-amine with MolForge

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Related Compounds

N-(9-cyclohexa-1,3-dien-1-yl-9-phenylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine
CID 144583099
N-(9-cyclohexa-1,3-dien-1-yl-9-phenylfluoren-4-yl)-9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)cyclohexen-1-yl]fluoren-2-amine
CID 156558178
N-(2-cyclohexa-1,3-dien-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-5-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 138723735
3-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline
CID 129266899
N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 126548607
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 146247477
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 135193177
N-(2,4-diphenylphenyl)-9,9-dimethyl-N-[4-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine
CID 129258823
N-(9,9-dimethylfluoren-2-yl)-2,5'-diphenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 154588633
7-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-phenylfluoren-2-amine
CID 140919841
N-[4-(7,7-diphenylbenzo[c]fluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 146364220
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-3-amine
CID 174252364

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-cyclohexa-1,3-dien-1-yl-9-phenylfluoren-4-yl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-4-amine?
The IUPAC name of N-[4-(9-cyclohexa-1,3-dien-1-yl-9-phenylfluoren-4-yl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-4-amine (CID 129266491) is N-[4-(9-cyclohexa-1,3-dien-1-yl-9-phenylfluoren-4-yl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-4-amine.
What is the SMILES notation for N-[4-(9-cyclohexa-1,3-dien-1-yl-9-phenylfluoren-4-yl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-4-amine?
The canonical SMILES for N-[4-(9-cyclohexa-1,3-dien-1-yl-9-phenylfluoren-4-yl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-4-amine is CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(C3=CC=CC4C3c3ccccc3C43c4ccccc4-c4ccccc43)c3ccc(-c4cccc5c4-c4ccccc4C5(C4=CC=CCC4)c4ccccc4)cc3)cc21.
What is the InChIKey of N-[4-(9-cyclohexa-1,3-dien-1-yl-9-phenylfluoren-4-yl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-4-amine?
The InChIKey is QFZXIXFPJZLZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H57N/c1-75(2)70-48-52(50-22-6-3-7-23-50)42-46-60(70)61-47-45-56(49-71(61)75)78(72-39-21-38-69-74(72)63-31-15-19-36-67(63)77(69)64-33-16-12-28-58(64)59-29-13-17-34-65(59)77)55-43-40-51(41-44-55)57-32-20-37-68-73(57)62-30-14-18-35-66(62)76(68,53-24-8-4-9-25-53)54-26-10-5-11-27-54/h3-10,12-26,28-49,69,74H,11,27H2,1-2H3.
What are the key properties of N-[4-(9-cyclohexa-1,3-dien-1-yl-9-phenylfluoren-4-yl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-4-amine?
N-[4-(9-cyclohexa-1,3-dien-1-yl-9-phenylfluoren-4-yl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-4-amine has a molecular weight of 996.31 g/mol, XLogP of 19.24, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9-cyclohexa-1,3-dien-1-yl-9-phenylfluoren-4-yl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-4-amine is sourced from PubChem (CID 129266491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).