N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine

C54H41N — CID 121285858

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
SMILESCc1cc(-c2ccccc2)cc(C)c1N(c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C54H41N/c1-34-30-37(36-16-6-5-7-17-36)31-35(2)52(34)55(39-26-28-44-40-18-8-12-22-46(40)53(3,4)51(44)33-39)38-27-29-50-45(32-38)43-21-11-15-25-49(43)54(50)47-23-13-9-19-41(47)42-20-10-14-24-48(42)54/h5-33H,1-4H3
InChIKeyJYGDIZVHPOBUID-UHFFFAOYSA-N
MW703.93 g/mol
LogP14.09
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine

N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine (PubChem CID 121285858) has the molecular formula C54H41N and a molecular weight of 703.93 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
PubChem CID121285858
Molecular FormulaC54H41N
Molecular Weight703.93 g/mol
Exact Mass703.32
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
SMILESCc1cc(-c2ccccc2)cc(C)c1N(c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C54H41N/c1-34-30-37(36-16-6-5-7-17-36)31-35(2)52(34)55(39-26-28-44-40-18-8-12-22-46(40)53(3,4)51(44)33-39)38-27-29-50-45(32-38)43-21-11-15-25-49(43)54(50)47-23-13-9-19-41(47)42-20-10-14-24-48(42)54/h5-33H,1-4H3
InChIKeyJYGDIZVHPOBUID-UHFFFAOYSA-N
XLogP14.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.93
LogP ≤ 514.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine with MolForge

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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-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 146578290
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
4-N-(9,9-dimethylfluoren-2-yl)-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N-phenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 138667384
N-[2,6-dimethyl-4-(2-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155221215
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 166663855
bis(N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine);N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine
CID 161294273
N-[2,6-bis(2-methylphenyl)-4-phenylphenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 146578317
N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 129259092
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-(2,6-dimethyl-4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 130309112
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

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine (CID 121285858) is N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine is Cc1cc(-c2ccccc2)cc(C)c1N(c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21)c1ccc2c(c1)C(C)(C)c1ccccc1-2.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine?
The InChIKey is JYGDIZVHPOBUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H41N/c1-34-30-37(36-16-6-5-7-17-36)31-35(2)52(34)55(39-26-28-44-40-18-8-12-22-46(40)53(3,4)51(44)33-39)38-27-29-50-45(32-38)43-21-11-15-25-49(43)54(50)47-23-13-9-19-41(47)42-20-10-14-24-48(42)54/h5-33H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine has a molecular weight of 703.93 g/mol, XLogP of 14.09, 4 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)-N-(2,6-dimethyl-4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine is sourced from PubChem (CID 121285858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).