N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(3-phenylphenyl)benzo[a]fluoren-9-amine

C56H41N — CID 155297463

IUPACN-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(3-phenylphenyl)benzo[a]fluoren-9-amine
SMILESCC1(C)c2cc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)ccc2-c2ccc3ccccc3c21
InChIInChI=1S/C56H41N/c1-55(2)52-36-44(31-34-49(52)50-32-29-39-19-12-13-26-46(39)54(50)55)57(43-25-16-20-40(35-43)38-17-6-3-7-18-38)45-30-33-48-47-27-14-15-28-51(47)56(53(48)37-45,41-21-8-4-9-22-41)42-23-10-5-11-24-42/h3-37H,1-2H3
InChIKeyALDDFDJJWHCKDY-UHFFFAOYSA-N
MW727.95 g/mol
LogP14.65
Rot. Bonds6

About N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(3-phenylphenyl)benzo[a]fluoren-9-amine

N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(3-phenylphenyl)benzo[a]fluoren-9-amine (PubChem CID 155297463) has the molecular formula C56H41N and a molecular weight of 727.95 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(3-phenylphenyl)benzo[a]fluoren-9-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(3-phenylphenyl)benzo[a]fluoren-9-amine
PubChem CID155297463
Molecular FormulaC56H41N
Molecular Weight727.95 g/mol
Exact Mass727.32
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(3-phenylphenyl)benzo[a]fluoren-9-amine
SMILESCC1(C)c2cc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)ccc2-c2ccc3ccccc3c21
InChIInChI=1S/C56H41N/c1-55(2)52-36-44(31-34-49(52)50-32-29-39-19-12-13-26-46(39)54(50)55)57(43-25-16-20-40(35-43)38-17-6-3-7-18-38)45-30-33-48-47-27-14-15-28-51(47)56(53(48)37-45,41-21-8-4-9-22-41)42-23-10-5-11-24-42/h3-37H,1-2H3
InChIKeyALDDFDJJWHCKDY-UHFFFAOYSA-N
XLogP14.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.95
LogP ≤ 514.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-3-amine
CID 164748052
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(7-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-(7-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(7-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine;N,9,9-triphenyl-N-[4-(7-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 160929151
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 159953736
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-yl-5-phenylbenzo[a]fluoren-9-amine
CID 170372746
N-(9,9-diphenylfluoren-2-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine
CID 130290726
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine
CID 159624987
N-(3-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 167323845
N,N-bis[3-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 154972916
9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 139384269
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-11,11-dimethyl-N-phenylbenzo[a]fluoren-9-amine
CID 170179875
N-(9,9-diphenylfluoren-2-yl)-10,10-dimethyl-N-(3-phenylphenyl)spiro[anthracene-9,9'-fluorene]-2-amine
CID 167176307
N-(11,11-dimethylbenzo[a]fluoren-9-yl)-11,11-dimethyl-N-(4-methylphenyl)benzo[a]fluoren-9-amine;N-(11,11-dimethylbenzo[a]fluoren-9-yl)-11,11-dimethyl-N-phenylbenzo[a]fluoren-9-amine;11,11-dimethyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-9-amine;11,11-dimethyl-N-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-9-amine
CID 160513135

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(3-phenylphenyl)benzo[a]fluoren-9-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(3-phenylphenyl)benzo[a]fluoren-9-amine (CID 155297463) is N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(3-phenylphenyl)benzo[a]fluoren-9-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(3-phenylphenyl)benzo[a]fluoren-9-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(3-phenylphenyl)benzo[a]fluoren-9-amine is CC1(C)c2cc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)ccc2-c2ccc3ccccc3c21.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(3-phenylphenyl)benzo[a]fluoren-9-amine?
The InChIKey is ALDDFDJJWHCKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H41N/c1-55(2)52-36-44(31-34-49(52)50-32-29-39-19-12-13-26-46(39)54(50)55)57(43-25-16-20-40(35-43)38-17-6-3-7-18-38)45-30-33-48-47-27-14-15-28-51(47)56(53(48)37-45,41-21-8-4-9-22-41)42-23-10-5-11-24-42/h3-37H,1-2H3.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(3-phenylphenyl)benzo[a]fluoren-9-amine?
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(3-phenylphenyl)benzo[a]fluoren-9-amine has a molecular weight of 727.95 g/mol, XLogP of 14.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(3-phenylphenyl)benzo[a]fluoren-9-amine is sourced from PubChem (CID 155297463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).