N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-methylfluoren-9-yl)phenyl]fluoren-2-amine

C60H45N — CID 135193179

IUPACN-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-methylfluoren-9-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(C4(C)c5ccccc5-c5ccccc54)cc3)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C60H45N/c1-58(2)50-27-14-10-23-45(50)48-38-37-44(39-55(48)58)61(43-35-33-40(34-36-43)59(3)51-28-15-11-24-46(51)47-25-12-16-29-52(47)59)56-32-18-31-54-57(56)49-26-13-17-30-53(49)60(54,41-19-6-4-7-20-41)42-21-8-5-9-22-42/h4-39H,1-3H3
InChIKeyIMKBGORWHQORFU-UHFFFAOYSA-N
MW780.03 g/mol
LogP15.16
Rot. Bonds6

About N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-methylfluoren-9-yl)phenyl]fluoren-2-amine

N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-methylfluoren-9-yl)phenyl]fluoren-2-amine (PubChem CID 135193179) has the molecular formula C60H45N and a molecular weight of 780.03 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-methylfluoren-9-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-methylfluoren-9-yl)phenyl]fluoren-2-amine
PubChem CID135193179
Molecular FormulaC60H45N
Molecular Weight780.03 g/mol
Exact Mass779.36
IUPAC NameN-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-methylfluoren-9-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(C4(C)c5ccccc5-c5ccccc54)cc3)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C60H45N/c1-58(2)50-27-14-10-23-45(50)48-38-37-44(39-55(48)58)61(43-35-33-40(34-36-43)59(3)51-28-15-11-24-46(51)47-25-12-16-29-52(47)59)56-32-18-31-54-57(56)49-26-13-17-30-53(49)60(54,41-19-6-4-7-20-41)42-21-8-5-9-22-42/h4-39H,1-3H3
InChIKeyIMKBGORWHQORFU-UHFFFAOYSA-N
XLogP15.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.03
LogP ≤ 515.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenylfluoren-2-amine
CID 160677650
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]fluoren-2-amine
CID 135193193
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine
CID 142480849
N,N-bis(9-methyl-9-phenylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 171453575
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-2-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine
CID 121423710
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-3-amine
CID 121423487
N-(9,9-dimethylfluoren-4-yl)-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-2-amine
CID 171453410
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-diphenylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 171453500
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]fluoren-2-amine
CID 171453229
N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 167177069

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-methylfluoren-9-yl)phenyl]fluoren-2-amine?
The IUPAC name of N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-methylfluoren-9-yl)phenyl]fluoren-2-amine (CID 135193179) is N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-methylfluoren-9-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-methylfluoren-9-yl)phenyl]fluoren-2-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-methylfluoren-9-yl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(C4(C)c5ccccc5-c5ccccc54)cc3)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-methylfluoren-9-yl)phenyl]fluoren-2-amine?
The InChIKey is IMKBGORWHQORFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H45N/c1-58(2)50-27-14-10-23-45(50)48-38-37-44(39-55(48)58)61(43-35-33-40(34-36-43)59(3)51-28-15-11-24-46(51)47-25-12-16-29-52(47)59)56-32-18-31-54-57(56)49-26-13-17-30-53(49)60(54,41-19-6-4-7-20-41)42-21-8-5-9-22-42/h4-39H,1-3H3.
What are the key properties of N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-methylfluoren-9-yl)phenyl]fluoren-2-amine?
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-methylfluoren-9-yl)phenyl]fluoren-2-amine has a molecular weight of 780.03 g/mol, XLogP of 15.16, 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-4-yl)-9,9-dimethyl-N-[4-(9-methylfluoren-9-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 135193179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).