6,8-ditert-butyl-N-(6,8-ditert-butyl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine

C46H59N — CID 178120432

IUPAC6,8-ditert-butyl-N-(6,8-ditert-butyl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
SMILESCC(C)(C)c1cc2c(c(C(C)(C)C)c1)C(C)(C)c1cc(Nc3ccc4c(c3)C(C)(C)c3c-4cc(C(C)(C)C)cc3C(C)(C)C)ccc1-2
InChIInChI=1S/C46H59N/c1-41(2,3)27-21-33-31-19-17-29(25-35(31)45(13,14)39(33)37(23-27)43(7,8)9)47-30-18-20-32-34-22-28(42(4,5)6)24-38(44(10,11)12)40(34)46(15,16)36(32)26-30/h17-26,47H,1-16H3
InChIKeyKBBYKMNRRBEROW-UHFFFAOYSA-N
MW625.99 g/mol
LogP13.23
Rot. Bonds2

About 6,8-ditert-butyl-N-(6,8-ditert-butyl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine

6,8-ditert-butyl-N-(6,8-ditert-butyl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine (PubChem CID 178120432) has the molecular formula C46H59N and a molecular weight of 625.99 g/mol. Its IUPAC name is 6,8-ditert-butyl-N-(6,8-ditert-butyl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound Name6,8-ditert-butyl-N-(6,8-ditert-butyl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
PubChem CID178120432
Molecular FormulaC46H59N
Molecular Weight625.99 g/mol
Exact Mass625.46
IUPAC Name6,8-ditert-butyl-N-(6,8-ditert-butyl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
SMILESCC(C)(C)c1cc2c(c(C(C)(C)C)c1)C(C)(C)c1cc(Nc3ccc4c(c3)C(C)(C)c3c-4cc(C(C)(C)C)cc3C(C)(C)C)ccc1-2
InChIInChI=1S/C46H59N/c1-41(2,3)27-21-33-31-19-17-29(25-35(31)45(13,14)39(33)37(23-27)43(7,8)9)47-30-18-20-32-34-22-28(42(4,5)6)24-38(44(10,11)12)40(34)46(15,16)36(32)26-30/h17-26,47H,1-16H3
InChIKeyKBBYKMNRRBEROW-UHFFFAOYSA-N
XLogP13.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.99
LogP ≤ 513.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6,8-ditert-butyl-N-(6,8-ditert-butyl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(4-tert-butylphenyl)-6-(3,5-ditert-butylphenyl)-7,7-dimethylbenzo[a]phenalen-9-amine
CID 176909438
6,8-ditert-butyl-N-(6,8-ditert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-4-amine
CID 176605468
6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-4-amine
CID 177067969
N-(9,9-dimethylfluoren-2-yl)-9,9,10,10-tetramethylanthracen-2-amine
CID 166647046
1',3'-ditert-butyl-7'-methyl-9,9'-spirobi[fluorene]
CID 163289482
N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-19-amine
CID 118360823
6,8-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-diphenylfluoren-1-amine
CID 177067734
9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 59357506
1,5-ditert-butyl-9,9-dimethylfluorene;1,6-ditert-butyl-9,9-dimethylfluorene;1,7-ditert-butyl-9,9-dimethylfluorene;1,8-ditert-butyl-9,9-dimethylfluorene;2,5-ditert-butyl-9,9-dimethylfluorene
CID 158121103
N-[4-[4-[3-[(9,9-dimethylfluoren-2-yl)amino]-2,3-dimethylbutan-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 174318657
6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-1-amine
CID 176605499
9,9-dimethyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 134528915

Frequently Asked Questions

What is the IUPAC name of 6,8-ditert-butyl-N-(6,8-ditert-butyl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of 6,8-ditert-butyl-N-(6,8-ditert-butyl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine (CID 178120432) is 6,8-ditert-butyl-N-(6,8-ditert-butyl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for 6,8-ditert-butyl-N-(6,8-ditert-butyl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for 6,8-ditert-butyl-N-(6,8-ditert-butyl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine is CC(C)(C)c1cc2c(c(C(C)(C)C)c1)C(C)(C)c1cc(Nc3ccc4c(c3)C(C)(C)c3c-4cc(C(C)(C)C)cc3C(C)(C)C)ccc1-2.
What is the InChIKey of 6,8-ditert-butyl-N-(6,8-ditert-butyl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
The InChIKey is KBBYKMNRRBEROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H59N/c1-41(2,3)27-21-33-31-19-17-29(25-35(31)45(13,14)39(33)37(23-27)43(7,8)9)47-30-18-20-32-34-22-28(42(4,5)6)24-38(44(10,11)12)40(34)46(15,16)36(32)26-30/h17-26,47H,1-16H3.
What are the key properties of 6,8-ditert-butyl-N-(6,8-ditert-butyl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
6,8-ditert-butyl-N-(6,8-ditert-butyl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine has a molecular weight of 625.99 g/mol, XLogP of 13.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-ditert-butyl-N-(6,8-ditert-butyl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 178120432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).