N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-5-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine

C62H45N — CID 170372918

IUPACN-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-5-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine
SMILESCC1(C)c2cccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2-c2cc(-c3ccccc3)c3ccccc3c21
InChIInChI=1S/C62H45N/c1-61(2)56-32-19-33-58(59(56)54-41-53(44-22-9-4-10-23-44)49-28-15-16-30-52(49)60(54)61)63(47-36-34-43(35-37-47)42-20-7-3-8-21-42)48-38-39-51-50-29-17-18-31-55(50)62(57(51)40-48,45-24-11-5-12-25-45)46-26-13-6-14-27-46/h3-41H,1-2H3
InChIKeyTXXCRSUXKXJJBE-UHFFFAOYSA-N
MW804.05 g/mol
LogP16.31
Rot. Bonds7

About N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-5-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine

N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-5-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine (PubChem CID 170372918) has the molecular formula C62H45N and a molecular weight of 804.05 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-5-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-5-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine
PubChem CID170372918
Molecular FormulaC62H45N
Molecular Weight804.05 g/mol
Exact Mass803.36
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-5-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine
SMILESCC1(C)c2cccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2-c2cc(-c3ccccc3)c3ccccc3c21
InChIInChI=1S/C62H45N/c1-61(2)56-32-19-33-58(59(56)54-41-53(44-22-9-4-10-23-44)49-28-15-16-30-52(49)60(54)61)63(47-36-34-43(35-37-47)42-20-7-3-8-21-42)48-38-39-51-50-29-17-18-31-55(50)62(57(51)40-48,45-24-11-5-12-25-45)46-26-13-6-14-27-46/h3-41H,1-2H3
InChIKeyTXXCRSUXKXJJBE-UHFFFAOYSA-N
XLogP16.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.05
LogP ≤ 516.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,5-bis(4-phenylphenyl)benzo[a]fluoren-7-amine
CID 170373587
N-(9,9-dimethylfluoren-4-yl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 121285745
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 121285751
N-(11,11-dimethyl-5-phenylbenzo[a]fluoren-9-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170372753
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 135193177
N-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 171453735
N-(9,9-dimethylfluoren-4-yl)-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-2-amine
CID 171453410
N,5,11,11-tetraphenyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine
CID 170373364
N-(11,11-dimethyl-5-phenylbenzo[a]fluoren-8-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170372874
N-(9,9-dimethylfluoren-3-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-3-amine;N-(9,9-dimethylfluoren-4-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 158283164
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine
CID 164929479
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-yl-5-phenylbenzo[a]fluoren-9-amine
CID 170372746

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-5-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-5-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine (CID 170372918) is N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-5-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-5-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-5-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine is CC1(C)c2cccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2-c2cc(-c3ccccc3)c3ccccc3c21.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-5-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine?
The InChIKey is TXXCRSUXKXJJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H45N/c1-61(2)56-32-19-33-58(59(56)54-41-53(44-22-9-4-10-23-44)49-28-15-16-30-52(49)60(54)61)63(47-36-34-43(35-37-47)42-20-7-3-8-21-42)48-38-39-51-50-29-17-18-31-55(50)62(57(51)40-48,45-24-11-5-12-25-45)46-26-13-6-14-27-46/h3-41H,1-2H3.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-5-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine?
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-5-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine has a molecular weight of 804.05 g/mol, XLogP of 16.31, 7 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-5-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine is sourced from PubChem (CID 170372918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).