N-(9,9-dimethylfluoren-2-yl)-N-(4,6-dimethylnaphthalen-2-yl)-9,9-dimethylfluoren-2-amine

C42H37N — CID 174309467

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(4,6-dimethylnaphthalen-2-yl)-9,9-dimethylfluoren-2-amine
SMILESCc1ccc2cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc(C)c2c1
InChIInChI=1S/C42H37N/c1-26-15-16-28-23-31(22-27(2)36(28)21-26)43(29-17-19-34-32-11-7-9-13-37(32)41(3,4)39(34)24-29)30-18-20-35-33-12-8-10-14-38(33)42(5,6)40(35)25-30/h7-25H,1-6H3
InChIKeyBATPAFJKACZQLF-UHFFFAOYSA-N
MW555.77 g/mol
LogP11.54
Rot. Bonds3

About N-(9,9-dimethylfluoren-2-yl)-N-(4,6-dimethylnaphthalen-2-yl)-9,9-dimethylfluoren-2-amine

N-(9,9-dimethylfluoren-2-yl)-N-(4,6-dimethylnaphthalen-2-yl)-9,9-dimethylfluoren-2-amine (PubChem CID 174309467) has the molecular formula C42H37N and a molecular weight of 555.77 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(4,6-dimethylnaphthalen-2-yl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(4,6-dimethylnaphthalen-2-yl)-9,9-dimethylfluoren-2-amine
PubChem CID174309467
Molecular FormulaC42H37N
Molecular Weight555.77 g/mol
Exact Mass555.29
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(4,6-dimethylnaphthalen-2-yl)-9,9-dimethylfluoren-2-amine
SMILESCc1ccc2cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc(C)c2c1
InChIInChI=1S/C42H37N/c1-26-15-16-28-23-31(22-27(2)36(28)21-26)43(29-17-19-34-32-11-7-9-13-37(32)41(3,4)39(34)24-29)30-18-20-35-33-12-8-10-14-38(33)42(5,6)40(35)25-30/h7-25H,1-6H3
InChIKeyBATPAFJKACZQLF-UHFFFAOYSA-N
XLogP11.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.77
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(6-methylnaphthalen-2-yl)fluoren-2-amine
CID 146644241
N-(9,9-dimethylfluoren-2-yl)-7,9,9-trimethyl-N-(7,9,9-trimethylfluoren-2-yl)fluoren-2-amine
CID 151367226
9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 11111910
N,N-bis(9,9-dimethylfluoren-3-yl)-7,9,9-trimethylfluoren-2-amine
CID 163882146
7,9,9-trimethyl-N,N-dinaphthalen-2-ylfluoren-2-amine
CID 70902516
N,N-bis(9,9-dimethylfluoren-2-yl)chrysen-2-amine
CID 170139827
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]spiro[benzo[a]fluorene-11,9'-fluorene]-3-amine
CID 145144939
N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-6-[2-[7-[(9,9-dimethylfluoren-2-yl)-(4-methylnaphthalen-2-yl)amino]-9,9-dimethylfluoren-2-yl]-2-methylpropyl]-9,9-dimethyl-N-(6-methylnaphthalen-2-yl)fluoren-2-amine
CID 174309744
N-(9,9-dimethylfluoren-2-yl)-N-(4,7-dimethylnaphthalen-2-yl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 174310180
N-(9,9-dimethylfluoren-2-yl)-N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-15,15-dimethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine
CID 129118409
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118146352
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylnaphthalen-2-yl)fluoren-2-amine
CID 138623042

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(4,6-dimethylnaphthalen-2-yl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(4,6-dimethylnaphthalen-2-yl)-9,9-dimethylfluoren-2-amine (CID 174309467) is N-(9,9-dimethylfluoren-2-yl)-N-(4,6-dimethylnaphthalen-2-yl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(4,6-dimethylnaphthalen-2-yl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(4,6-dimethylnaphthalen-2-yl)-9,9-dimethylfluoren-2-amine is Cc1ccc2cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc(C)c2c1.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(4,6-dimethylnaphthalen-2-yl)-9,9-dimethylfluoren-2-amine?
The InChIKey is BATPAFJKACZQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H37N/c1-26-15-16-28-23-31(22-27(2)36(28)21-26)43(29-17-19-34-32-11-7-9-13-37(32)41(3,4)39(34)24-29)30-18-20-35-33-12-8-10-14-38(33)42(5,6)40(35)25-30/h7-25H,1-6H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(4,6-dimethylnaphthalen-2-yl)-9,9-dimethylfluoren-2-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(4,6-dimethylnaphthalen-2-yl)-9,9-dimethylfluoren-2-amine has a molecular weight of 555.77 g/mol, XLogP of 11.54, 3 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-(4,6-dimethylnaphthalen-2-yl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 174309467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).