N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-yl-5-phenylbenzo[a]fluoren-9-amine

C60H43N — CID 170372746

IUPACN-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-yl-5-phenylbenzo[a]fluoren-9-amine
SMILESCC1(C)c2cc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4ccccc4c3)ccc2-c2cc(-c3ccccc3)c3ccccc3c21
InChIInChI=1S/C60H43N/c1-59(2)56-37-46(33-35-51(56)54-39-53(41-19-6-3-7-20-41)48-26-14-15-28-52(48)58(54)59)61(45-31-30-40-18-12-13-21-42(40)36-45)47-32-34-50-49-27-16-17-29-55(49)60(57(50)38-47,43-22-8-4-9-23-43)44-24-10-5-11-25-44/h3-39H,1-2H3
InChIKeyZNVLEHKOWZTFHB-UHFFFAOYSA-N
MW778.01 g/mol
LogP15.80
Rot. Bonds6

About N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-yl-5-phenylbenzo[a]fluoren-9-amine

N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-yl-5-phenylbenzo[a]fluoren-9-amine (PubChem CID 170372746) has the molecular formula C60H43N and a molecular weight of 778.01 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-yl-5-phenylbenzo[a]fluoren-9-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-yl-5-phenylbenzo[a]fluoren-9-amine
PubChem CID170372746
Molecular FormulaC60H43N
Molecular Weight778.01 g/mol
Exact Mass777.34
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-yl-5-phenylbenzo[a]fluoren-9-amine
SMILESCC1(C)c2cc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4ccccc4c3)ccc2-c2cc(-c3ccccc3)c3ccccc3c21
InChIInChI=1S/C60H43N/c1-59(2)56-37-46(33-35-51(56)54-39-53(41-19-6-3-7-20-41)48-26-14-15-28-52(48)58(54)59)61(45-31-30-40-18-12-13-21-42(40)36-45)47-32-34-50-49-27-16-17-29-55(49)60(57(50)38-47,43-22-8-4-9-23-43)44-24-10-5-11-25-44/h3-39H,1-2H3
InChIKeyZNVLEHKOWZTFHB-UHFFFAOYSA-N
XLogP15.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.01
LogP ≤ 515.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(11,11-dimethyl-5-phenylbenzo[a]fluoren-9-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170372753
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(3-phenylphenyl)benzo[a]fluoren-9-amine
CID 155297463
N,N-bis(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(9-methyl-9-phenylfluoren-2-yl)fluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 157319192
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-1-phenylfluoren-3-amine
CID 167197300
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
CID 166565951
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-9,9-diphenylfluoren-2-amine
CID 157147321
N-(11,11-dimethyl-5-phenylbenzo[a]fluoren-8-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170372874
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-5-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine
CID 170372918
N-[4-[4-[(9,9-diphenylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenylfluoren-2-amine
CID 122448831
9,9-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)-3-phenylphenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-(3,4-diphenylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 159227060
N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yl-6,9,9-triphenylfluoren-2-amine;N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-yl-6,9,9-triphenylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 157391527
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

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-yl-5-phenylbenzo[a]fluoren-9-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-yl-5-phenylbenzo[a]fluoren-9-amine (CID 170372746) is N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-yl-5-phenylbenzo[a]fluoren-9-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-yl-5-phenylbenzo[a]fluoren-9-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-yl-5-phenylbenzo[a]fluoren-9-amine is CC1(C)c2cc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4ccccc4c3)ccc2-c2cc(-c3ccccc3)c3ccccc3c21.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-yl-5-phenylbenzo[a]fluoren-9-amine?
The InChIKey is ZNVLEHKOWZTFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H43N/c1-59(2)56-37-46(33-35-51(56)54-39-53(41-19-6-3-7-20-41)48-26-14-15-28-52(48)58(54)59)61(45-31-30-40-18-12-13-21-42(40)36-45)47-32-34-50-49-27-16-17-29-55(49)60(57(50)38-47,43-22-8-4-9-23-43)44-24-10-5-11-25-44/h3-39H,1-2H3.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-yl-5-phenylbenzo[a]fluoren-9-amine?
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-yl-5-phenylbenzo[a]fluoren-9-amine has a molecular weight of 778.01 g/mol, XLogP of 15.80, 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-naphthalen-2-yl-5-phenylbenzo[a]fluoren-9-amine is sourced from PubChem (CID 170372746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).