N-(3,5-dimethylphenyl)-2,7,10,10-tetramethyl-N-(2,7,7'-trimethyl-9,9'-spirobi[fluorene]-2'-yl)spiro[anthracene-9,9'-fluorene]-2'-amine

C66H55N — CID 177067256

IUPACN-(3,5-dimethylphenyl)-2,7,10,10-tetramethyl-N-(2,7,7'-trimethyl-9,9'-spirobi[fluorene]-2'-yl)spiro[anthracene-9,9'-fluorene]-2'-amine
SMILESCc1cc(C)cc(N(c2ccc3c(c2)C2(c4cc(C)ccc4-c4ccc(C)cc42)c2cc(C)ccc2-3)c2ccc3c(c2)C2(c4ccccc4-3)c3cc(C)ccc3C(C)(C)c3ccc(C)cc32)c1
InChIInChI=1S/C66H55N/c1-38-14-21-49-50-22-15-39(2)32-58(50)66(57(49)31-38)59-33-40(3)16-23-51(59)53-25-20-46(37-61(53)66)67(47-29-43(6)28-44(7)30-47)45-19-24-52-48-12-10-11-13-54(48)65(60(52)36-45)62-34-41(4)17-26-55(62)64(8,9)56-27-18-42(5)35-63(56)65/h10-37H,1-9H3
InChIKeyMUWJLEIXSOVLKF-UHFFFAOYSA-N
MW862.17 g/mol
LogP16.66
Rot. Bonds3

About N-(3,5-dimethylphenyl)-2,7,10,10-tetramethyl-N-(2,7,7'-trimethyl-9,9'-spirobi[fluorene]-2'-yl)spiro[anthracene-9,9'-fluorene]-2'-amine

N-(3,5-dimethylphenyl)-2,7,10,10-tetramethyl-N-(2,7,7'-trimethyl-9,9'-spirobi[fluorene]-2'-yl)spiro[anthracene-9,9'-fluorene]-2'-amine (PubChem CID 177067256) has the molecular formula C66H55N and a molecular weight of 862.17 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2,7,10,10-tetramethyl-N-(2,7,7'-trimethyl-9,9'-spirobi[fluorene]-2'-yl)spiro[anthracene-9,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2,7,10,10-tetramethyl-N-(2,7,7'-trimethyl-9,9'-spirobi[fluorene]-2'-yl)spiro[anthracene-9,9'-fluorene]-2'-amine
PubChem CID177067256
Molecular FormulaC66H55N
Molecular Weight862.17 g/mol
Exact Mass861.43
IUPAC NameN-(3,5-dimethylphenyl)-2,7,10,10-tetramethyl-N-(2,7,7'-trimethyl-9,9'-spirobi[fluorene]-2'-yl)spiro[anthracene-9,9'-fluorene]-2'-amine
SMILESCc1cc(C)cc(N(c2ccc3c(c2)C2(c4cc(C)ccc4-c4ccc(C)cc42)c2cc(C)ccc2-3)c2ccc3c(c2)C2(c4ccccc4-3)c3cc(C)ccc3C(C)(C)c3ccc(C)cc32)c1
InChIInChI=1S/C66H55N/c1-38-14-21-49-50-22-15-39(2)32-58(50)66(57(49)31-38)59-33-40(3)16-23-51(59)53-25-20-46(37-61(53)66)67(47-29-43(6)28-44(7)30-47)45-19-24-52-48-12-10-11-13-54(48)65(60(52)36-45)62-34-41(4)17-26-55(62)64(8,9)56-27-18-42(5)35-63(56)65/h10-37H,1-9H3
InChIKeyMUWJLEIXSOVLKF-UHFFFAOYSA-N
XLogP16.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500862.17
LogP ≤ 516.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(3,5-dimethylphenyl)-2,7,10,10-tetramethyl-N-(2,7,7'-trimethyl-9,9'-spirobi[fluorene]-2'-yl)spiro[anthracene-9,9'-fluorene]-2'-amine with MolForge

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Related Compounds

N,N-bis(9,9-dimethylfluoren-3-yl)-7,9,9-trimethylfluoren-2-amine
CID 163882146
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-(9,9-dimethylfluoren-2-yl)-7,9,9-trimethyl-N-(7,9,9-trimethylfluoren-2-yl)fluoren-2-amine
CID 151367226
N-(9,9-dimethylfluoren-2-yl)-2-methyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 118298490
2',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142504500
N-[4-[4-(N-(2',7'-dimethyl-9,9'-spirobi[fluorene]-2-yl)anilino)phenyl]phenyl]-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 158001186
9,9-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-[4-[6-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-yl]phenyl]fluoren-2-amine
CID 129263948
2-methyl-N-[4-[4-(3-methyl-N-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)anilino)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 89334238
N-(9,9-dimethylfluoren-4-yl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-3-amine
CID 126538707
9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 11111910
2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane
CID 159071810
2-methyl-N,N,7'-triphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 21042261

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2,7,10,10-tetramethyl-N-(2,7,7'-trimethyl-9,9'-spirobi[fluorene]-2'-yl)spiro[anthracene-9,9'-fluorene]-2'-amine?
The IUPAC name of N-(3,5-dimethylphenyl)-2,7,10,10-tetramethyl-N-(2,7,7'-trimethyl-9,9'-spirobi[fluorene]-2'-yl)spiro[anthracene-9,9'-fluorene]-2'-amine (CID 177067256) is N-(3,5-dimethylphenyl)-2,7,10,10-tetramethyl-N-(2,7,7'-trimethyl-9,9'-spirobi[fluorene]-2'-yl)spiro[anthracene-9,9'-fluorene]-2'-amine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2,7,10,10-tetramethyl-N-(2,7,7'-trimethyl-9,9'-spirobi[fluorene]-2'-yl)spiro[anthracene-9,9'-fluorene]-2'-amine?
The canonical SMILES for N-(3,5-dimethylphenyl)-2,7,10,10-tetramethyl-N-(2,7,7'-trimethyl-9,9'-spirobi[fluorene]-2'-yl)spiro[anthracene-9,9'-fluorene]-2'-amine is Cc1cc(C)cc(N(c2ccc3c(c2)C2(c4cc(C)ccc4-c4ccc(C)cc42)c2cc(C)ccc2-3)c2ccc3c(c2)C2(c4ccccc4-3)c3cc(C)ccc3C(C)(C)c3ccc(C)cc32)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2,7,10,10-tetramethyl-N-(2,7,7'-trimethyl-9,9'-spirobi[fluorene]-2'-yl)spiro[anthracene-9,9'-fluorene]-2'-amine?
The InChIKey is MUWJLEIXSOVLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H55N/c1-38-14-21-49-50-22-15-39(2)32-58(50)66(57(49)31-38)59-33-40(3)16-23-51(59)53-25-20-46(37-61(53)66)67(47-29-43(6)28-44(7)30-47)45-19-24-52-48-12-10-11-13-54(48)65(60(52)36-45)62-34-41(4)17-26-55(62)64(8,9)56-27-18-42(5)35-63(56)65/h10-37H,1-9H3.
What are the key properties of N-(3,5-dimethylphenyl)-2,7,10,10-tetramethyl-N-(2,7,7'-trimethyl-9,9'-spirobi[fluorene]-2'-yl)spiro[anthracene-9,9'-fluorene]-2'-amine?
N-(3,5-dimethylphenyl)-2,7,10,10-tetramethyl-N-(2,7,7'-trimethyl-9,9'-spirobi[fluorene]-2'-yl)spiro[anthracene-9,9'-fluorene]-2'-amine has a molecular weight of 862.17 g/mol, XLogP of 16.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2,7,10,10-tetramethyl-N-(2,7,7'-trimethyl-9,9'-spirobi[fluorene]-2'-yl)spiro[anthracene-9,9'-fluorene]-2'-amine is sourced from PubChem (CID 177067256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).