N-(7-tert-butyl-9,9-diphenyl-5,6-dihydrofluoren-2-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine

C56H49N — CID 144583094

IUPACN-(7-tert-butyl-9,9-diphenyl-5,6-dihydrofluoren-2-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
SMILESCC(C)(C)C1=CC2=C(CC1)c1ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3-c3ccccc3)cc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C56H49N/c1-54(2,3)41-29-32-47-48-34-31-43(37-52(48)56(51(47)35-41,39-21-11-7-12-22-39)40-23-13-8-14-24-40)57(53-28-18-16-25-44(53)38-19-9-6-10-20-38)42-30-33-46-45-26-15-17-27-49(45)55(4,5)50(46)36-42/h6-28,30-31,33-37H,29,32H2,1-5H3
InChIKeyCACXQSJBCKREGD-UHFFFAOYSA-N
MW736.02 g/mol
LogP15.00
Rot. Bonds6

About N-(7-tert-butyl-9,9-diphenyl-5,6-dihydrofluoren-2-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine

N-(7-tert-butyl-9,9-diphenyl-5,6-dihydrofluoren-2-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine (PubChem CID 144583094) has the molecular formula C56H49N and a molecular weight of 736.02 g/mol. Its IUPAC name is N-(7-tert-butyl-9,9-diphenyl-5,6-dihydrofluoren-2-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-(7-tert-butyl-9,9-diphenyl-5,6-dihydrofluoren-2-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
PubChem CID144583094
Molecular FormulaC56H49N
Molecular Weight736.02 g/mol
Exact Mass735.39
IUPAC NameN-(7-tert-butyl-9,9-diphenyl-5,6-dihydrofluoren-2-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
SMILESCC(C)(C)C1=CC2=C(CC1)c1ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3-c3ccccc3)cc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C56H49N/c1-54(2,3)41-29-32-47-48-34-31-43(37-52(48)56(51(47)35-41,39-21-11-7-12-22-39)40-23-13-8-14-24-40)57(53-28-18-16-25-44(53)38-19-9-6-10-20-38)42-30-33-46-45-26-15-17-27-49(45)55(4,5)50(46)36-42/h6-28,30-31,33-37H,29,32H2,1-5H3
InChIKeyCACXQSJBCKREGD-UHFFFAOYSA-N
XLogP15.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.02
LogP ≤ 515.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 134487972
9,9-dimethyl-N,N-bis(2-phenylphenyl)fluoren-2-amine
CID 118245783
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-7,9,9-triphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121321503
N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-7,9,9-triphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121422575
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 158470030
N-(9-cyclohexa-1,5-dien-1-yl-9-phenyl-3,4-dihydrofluoren-2-yl)-9,9-dimethyl-N-(2-phenylphenyl)-7-(4-phenylphenyl)fluoren-2-amine
CID 178165565
N-[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 118298195
N-[4-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylaniline
CID 166694657
9-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-5,9-bis(4-phenylphenyl)fluoren-2-amine
CID 155153830
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylaniline
CID 146576437
N-[2-[9,9-diphenyl-8-(4-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 155153846
4-N-(9,9-dimethylfluoren-2-yl)-1-N-(9,9-diphenylfluoren-2-yl)-1-N,4-N-bis(2-phenylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine
CID 121361277

Frequently Asked Questions

What is the IUPAC name of N-(7-tert-butyl-9,9-diphenyl-5,6-dihydrofluoren-2-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-(7-tert-butyl-9,9-diphenyl-5,6-dihydrofluoren-2-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine (CID 144583094) is N-(7-tert-butyl-9,9-diphenyl-5,6-dihydrofluoren-2-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-(7-tert-butyl-9,9-diphenyl-5,6-dihydrofluoren-2-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-(7-tert-butyl-9,9-diphenyl-5,6-dihydrofluoren-2-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine is CC(C)(C)C1=CC2=C(CC1)c1ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3-c3ccccc3)cc1C2(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(7-tert-butyl-9,9-diphenyl-5,6-dihydrofluoren-2-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine?
The InChIKey is CACXQSJBCKREGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H49N/c1-54(2,3)41-29-32-47-48-34-31-43(37-52(48)56(51(47)35-41,39-21-11-7-12-22-39)40-23-13-8-14-24-40)57(53-28-18-16-25-44(53)38-19-9-6-10-20-38)42-30-33-46-45-26-15-17-27-49(45)55(4,5)50(46)36-42/h6-28,30-31,33-37H,29,32H2,1-5H3.
What are the key properties of N-(7-tert-butyl-9,9-diphenyl-5,6-dihydrofluoren-2-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine?
N-(7-tert-butyl-9,9-diphenyl-5,6-dihydrofluoren-2-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine has a molecular weight of 736.02 g/mol, XLogP of 15.00, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-tert-butyl-9,9-diphenyl-5,6-dihydrofluoren-2-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 144583094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).