6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine

C55H53N — CID 166464490

IUPAC6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine
SMILESCC(C)(C)c1cc2c(c(C(C)(C)C)c1)C(C)(c1ccccc1)c1ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc1-2
InChIInChI=1S/C55H53N/c1-52(2,3)39-32-46-45-34-41(29-31-48(45)55(9,38-20-14-11-15-21-38)51(46)50(33-39)53(4,5)6)56(40-26-24-37(25-27-40)36-18-12-10-13-19-36)42-28-30-44-43-22-16-17-23-47(43)54(7,8)49(44)35-42/h10-35H,1-9H3
InChIKeyBQSLFKPUJIHAPG-UHFFFAOYSA-N
MW728.04 g/mol
LogP15.06
Rot. Bonds5

About 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine

6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine (PubChem CID 166464490) has the molecular formula C55H53N and a molecular weight of 728.04 g/mol. Its IUPAC name is 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine.

Molecular Properties

Compound Name6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine
PubChem CID166464490
Molecular FormulaC55H53N
Molecular Weight728.04 g/mol
Exact Mass727.42
IUPAC Name6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine
SMILESCC(C)(C)c1cc2c(c(C(C)(C)C)c1)C(C)(c1ccccc1)c1ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc1-2
InChIInChI=1S/C55H53N/c1-52(2,3)39-32-46-45-34-41(29-31-48(45)55(9,38-20-14-11-15-21-38)51(46)50(33-39)53(4,5)6)56(40-26-24-37(25-27-40)36-18-12-10-13-19-36)42-28-30-44-43-22-16-17-23-47(43)54(7,8)49(44)35-42/h10-35H,1-9H3
InChIKeyBQSLFKPUJIHAPG-UHFFFAOYSA-N
XLogP15.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.04
LogP ≤ 515.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(2-phenylphenyl)-9-(3-phenylphenyl)fluoren-2-amine
CID 163768086
N-[4-(6,8-ditert-butyl-9,9-dicyclopentylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177067898
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-(9-methylfluoren-9-yl)phenyl]phenyl]-N-phenylfluoren-2-amine
CID 165158461
N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 155466839
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 158242505
N-[3,4-bis(4-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134198401
N-[3-[3-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[3-[3-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 159398373
N-(2-tert-butyl-4-phenylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 176781171
9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 121285785
6',8'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 168750154
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786

Frequently Asked Questions

What is the IUPAC name of 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine?
The IUPAC name of 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine (CID 166464490) is 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine.
What is the SMILES notation for 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine?
The canonical SMILES for 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine is CC(C)(C)c1cc2c(c(C(C)(C)C)c1)C(C)(c1ccccc1)c1ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc1-2.
What is the InChIKey of 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine?
The InChIKey is BQSLFKPUJIHAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H53N/c1-52(2,3)39-32-46-45-34-41(29-31-48(45)55(9,38-20-14-11-15-21-38)51(46)50(33-39)53(4,5)6)56(40-26-24-37(25-27-40)36-18-12-10-13-19-36)42-28-30-44-43-22-16-17-23-47(43)54(7,8)49(44)35-42/h10-35H,1-9H3.
What are the key properties of 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine?
6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine has a molecular weight of 728.04 g/mol, XLogP of 15.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine is sourced from PubChem (CID 166464490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).