6-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine

C60H47N — CID 168812120

IUPAC6-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4cccc5ccc(C6CCCCC6)c3c45)c3cccc4ccccc34)cc21
InChIInChI=1S/C60H47N/c1-59(2)51-26-11-8-22-45(51)48-34-31-41(36-54(48)59)61(56-29-15-19-38-18-6-7-21-43(38)56)42-32-35-49-46-23-9-12-27-52(46)60(55(49)37-42)53-28-13-10-24-47(53)50-25-14-20-40-30-33-44(58(60)57(40)50)39-16-4-3-5-17-39/h6-15,18-37,39H,3-5,16-17H2,1-2H3
InChIKeyVQQGVZXHDULDJP-UHFFFAOYSA-N
MW782.04 g/mol
LogP16.16
Rot. Bonds4

About 6-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine

6-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine (PubChem CID 168812120) has the molecular formula C60H47N and a molecular weight of 782.04 g/mol. Its IUPAC name is 6-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine.

Molecular Properties

Compound Name6-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
PubChem CID168812120
Molecular FormulaC60H47N
Molecular Weight782.04 g/mol
Exact Mass781.37
IUPAC Name6-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4cccc5ccc(C6CCCCC6)c3c45)c3cccc4ccccc34)cc21
InChIInChI=1S/C60H47N/c1-59(2)51-26-11-8-22-45(51)48-34-31-41(36-54(48)59)61(56-29-15-19-38-18-6-7-21-43(38)56)42-32-35-49-46-23-9-12-27-52(46)60(55(49)37-42)53-28-13-10-24-47(53)50-25-14-20-40-30-33-44(58(60)57(40)50)39-16-4-3-5-17-39/h6-15,18-37,39H,3-5,16-17H2,1-2H3
InChIKeyVQQGVZXHDULDJP-UHFFFAOYSA-N
XLogP16.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.04
LogP ≤ 516.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-cyclohexyl-N-(2-cyclohexylnaphthalen-1-yl)-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine;7-cyclohexyl-N-(2-cyclohexylnaphthalen-1-yl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(2-cyclohexylnaphthalen-1-yl)-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine;N-(4-cyclohexylphenyl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 165094520
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58983323
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 165158535
7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine
CID 165060417
N-(2-cyclohexylnaphthalen-1-yl)-N-[9-(3-cyclohexylphenyl)-9-phenylfluoren-2-yl]-9,9-dimethylfluoren-2-amine
CID 164972716
8-cyclopentyl-N-(8-cyclopentyl-9,9-dimethylfluoren-2-yl)-N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine
CID 164774005
7-cyclohexyl-N-(2-cyclohexylnaphthalen-1-yl)-N-[2-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine;7-cyclohexyl-N-(2-cyclohexylnaphthalen-1-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-(2-cyclohexylnaphthalen-1-yl)-N-[2-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine;N-[2-(4-cyclohexylphenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 164978075
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 170303846
N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;1-N,1-N-diphenyl-4-N,4-N-bis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;4-N-naphthalen-1-yl-1-N,1-N-bis[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 159694712
2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 170303625
N-(3-cyclohexylphenyl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine
CID 164774507
N-[2-(2-cyclobutylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 177124785

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine?
The IUPAC name of 6-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine (CID 168812120) is 6-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine.
What is the SMILES notation for 6-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine?
The canonical SMILES for 6-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4cccc5ccc(C6CCCCC6)c3c45)c3cccc4ccccc34)cc21.
What is the InChIKey of 6-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine?
The InChIKey is VQQGVZXHDULDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H47N/c1-59(2)51-26-11-8-22-45(51)48-34-31-41(36-54(48)59)61(56-29-15-19-38-18-6-7-21-43(38)56)42-32-35-49-46-23-9-12-27-52(46)60(55(49)37-42)53-28-13-10-24-47(53)50-25-14-20-40-30-33-44(58(60)57(40)50)39-16-4-3-5-17-39/h6-15,18-37,39H,3-5,16-17H2,1-2H3.
What are the key properties of 6-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine?
6-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine has a molecular weight of 782.04 g/mol, XLogP of 16.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine is sourced from PubChem (CID 168812120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).