N-(9,9-dimethylfluoren-2-yl)-6,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-2-amine

C62H45N — CID 169280540

IUPACN-(9,9-dimethylfluoren-2-yl)-6,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4cc(-c5ccccc5)c5c(c4c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)cc21
InChIInChI=1S/C62H45N/c1-61(2)56-29-17-15-27-51(56)52-38-37-50(41-58(52)61)63(48-34-31-43(32-35-48)42-19-7-3-8-20-42)49-36-33-45-39-54(44-21-9-4-10-22-44)59-53-28-16-18-30-57(53)62(60(59)55(45)40-49,46-23-11-5-12-24-46)47-25-13-6-14-26-47/h3-41H,1-2H3
InChIKeyFZQORWVANYGYOV-UHFFFAOYSA-N
MW804.05 g/mol
LogP16.31
Rot. Bonds7

About N-(9,9-dimethylfluoren-2-yl)-6,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-2-amine

N-(9,9-dimethylfluoren-2-yl)-6,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-2-amine (PubChem CID 169280540) has the molecular formula C62H45N and a molecular weight of 804.05 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-6,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-6,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-2-amine
PubChem CID169280540
Molecular FormulaC62H45N
Molecular Weight804.05 g/mol
Exact Mass803.36
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-6,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4cc(-c5ccccc5)c5c(c4c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)cc21
InChIInChI=1S/C62H45N/c1-61(2)56-29-17-15-27-51(56)52-38-37-50(41-58(52)61)63(48-34-31-43(32-35-48)42-19-7-3-8-20-42)49-36-33-45-39-54(44-21-9-4-10-22-44)59-53-28-16-18-30-57(53)62(60(59)55(45)40-49,46-23-11-5-12-24-46)47-25-13-6-14-26-47/h3-41H,1-2H3
InChIKeyFZQORWVANYGYOV-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

11,11-dimethyl-6-phenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-2-amine
CID 169280503
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(6,11,11-triphenylbenzo[a]fluoren-5-yl)phenyl]fluoren-2-amine
CID 169280346
N-[4-(7,7-diphenylbenzo[c]fluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 146364220
9,9-dimethyl-N-(4-phenanthren-4-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118368668
9,9-dimethyl-N-(4-phenylphenyl)-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 163787902
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)phenanthren-3-amine
CID 142589057
N-(7,7-dimethylbenzo[c]fluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)benzo[g]fluoren-9-amine;N-(7,7-dimethylbenzo[c]fluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-(9,9-diphenylfluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)benzo[c]fluoren-2-amine
CID 159928886
N-(3,4-diphenylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(3,4-diphenylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160568541
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298338
N-(9,9-diphenylfluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine
CID 167232339
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-[4-[9-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 90274459

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-6,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-6,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-2-amine (CID 169280540) is N-(9,9-dimethylfluoren-2-yl)-6,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-6,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-6,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4cc(-c5ccccc5)c5c(c4c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-6,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-2-amine?
The InChIKey is FZQORWVANYGYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H45N/c1-61(2)56-29-17-15-27-51(56)52-38-37-50(41-58(52)61)63(48-34-31-43(32-35-48)42-19-7-3-8-20-42)49-36-33-45-39-54(44-21-9-4-10-22-44)59-53-28-16-18-30-57(53)62(60(59)55(45)40-49,46-23-11-5-12-24-46)47-25-13-6-14-26-47/h3-41H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-6,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-2-amine?
N-(9,9-dimethylfluoren-2-yl)-6,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-2-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-dimethylfluoren-2-yl)-6,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-2-amine is sourced from PubChem (CID 169280540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).