N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-methyl-6-phenyl-4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine

C68H53N — CID 155221159

IUPACN-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-methyl-6-phenyl-4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine
SMILESCc1cc(-c2ccc(-c3ccccc3)cc2)cc(-c2ccccc2)c1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2C(C)(C)c2ccccc21
InChIInChI=1S/C68H53N/c1-44-40-49(47-34-32-46(33-35-47)45-20-8-6-9-21-45)41-56(48-22-10-7-11-23-48)65(44)69(50-36-38-54-52-24-12-14-26-57(52)66(2,3)63(54)42-50)51-37-39-55-53-25-13-15-27-58(53)68(64(55)43-51)61-30-18-16-28-59(61)67(4,5)60-29-17-19-31-62(60)68/h6-43H,1-5H3
InChIKeyXXIQWOUCYHRAIB-UHFFFAOYSA-N
MW884.18 g/mol
LogP17.77
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-methyl-6-phenyl-4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-methyl-6-phenyl-4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine (PubChem CID 155221159) has the molecular formula C68H53N and a molecular weight of 884.18 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-methyl-6-phenyl-4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-methyl-6-phenyl-4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine
PubChem CID155221159
Molecular FormulaC68H53N
Molecular Weight884.18 g/mol
Exact Mass883.42
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-methyl-6-phenyl-4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine
SMILESCc1cc(-c2ccc(-c3ccccc3)cc2)cc(-c2ccccc2)c1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2C(C)(C)c2ccccc21
InChIInChI=1S/C68H53N/c1-44-40-49(47-34-32-46(33-35-47)45-20-8-6-9-21-45)41-56(48-22-10-7-11-23-48)65(44)69(50-36-38-54-52-24-12-14-26-57(52)66(2,3)63(54)42-50)51-37-39-55-53-25-13-15-27-58(53)68(64(55)43-51)61-30-18-16-28-59(61)67(4,5)60-29-17-19-31-62(60)68/h6-43H,1-5H3
InChIKeyXXIQWOUCYHRAIB-UHFFFAOYSA-N
XLogP17.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500884.18
LogP ≤ 517.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-[2,6-dimethyl-4-(4-phenylphenyl)phenyl]-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-amine
CID 146578858
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(2,4,6-triphenylphenyl)fluoren-2-amine
CID 155181804
N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 121285858
9,9-dimethyl-N-(2-methyl-4-naphthalen-2-yl-6-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine
CID 155221008
N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 146578290
N-[2,6-dimethyl-4-(2-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155221215
N-[2,6-bis(2-methylphenyl)-4-phenylphenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 146578317
2-N'-(9,9-dimethylfluoren-2-yl)-2-N',7-N',7-N'-tris(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 58084629
N-(9,9-dimethylfluoren-2-yl)-N-[2,6-dimethyl-4-(3-phenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[2,6-dimethyl-4-(2-phenylphenyl)phenyl]-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-[2,6-dimethyl-4-(2-phenylphenyl)phenyl]spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-amine
CID 161160012
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 118298482
9,9-dimethyl-N-(2-methyl-6-naphthalen-1-yl-4-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 155623469
N-(2,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 142481385

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-methyl-6-phenyl-4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-methyl-6-phenyl-4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine (CID 155221159) is N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-methyl-6-phenyl-4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-methyl-6-phenyl-4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-methyl-6-phenyl-4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine is Cc1cc(-c2ccc(-c3ccccc3)cc2)cc(-c2ccccc2)c1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2C(C)(C)c2ccccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-methyl-6-phenyl-4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine?
The InChIKey is XXIQWOUCYHRAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H53N/c1-44-40-49(47-34-32-46(33-35-47)45-20-8-6-9-21-45)41-56(48-22-10-7-11-23-48)65(44)69(50-36-38-54-52-24-12-14-26-57(52)66(2,3)63(54)42-50)51-37-39-55-53-25-13-15-27-58(53)68(64(55)43-51)61-30-18-16-28-59(61)67(4,5)60-29-17-19-31-62(60)68/h6-43H,1-5H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-methyl-6-phenyl-4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine?
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-methyl-6-phenyl-4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine has a molecular weight of 884.18 g/mol, XLogP of 17.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-methyl-6-phenyl-4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine is sourced from PubChem (CID 155221159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).