N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N,7,10,10-tetraphenylindeno[2,1-b]fluoren-5-amine

C61H47N — CID 171401927

IUPACN-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N,7,10,10-tetraphenylindeno[2,1-b]fluoren-5-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3c4c(cc5c3-c3cc(-c6ccccc6)ccc3C5(c3ccccc3)c3ccccc3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C61H47N/c1-59(2)50-31-19-17-29-46(50)47-35-34-45(38-53(47)59)62(44-27-15-8-16-28-44)58-56-48-30-18-20-32-51(48)60(3,4)54(56)39-55-57(58)49-37-41(40-21-9-5-10-22-40)33-36-52(49)61(55,42-23-11-6-12-24-42)43-25-13-7-14-26-43/h5-39H,1-4H3
InChIKeyFLGLDBNUYVEGGQ-UHFFFAOYSA-N
MW794.05 g/mol
LogP15.80
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N,7,10,10-tetraphenylindeno[2,1-b]fluoren-5-amine

N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N,7,10,10-tetraphenylindeno[2,1-b]fluoren-5-amine (PubChem CID 171401927) has the molecular formula C61H47N and a molecular weight of 794.05 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N,7,10,10-tetraphenylindeno[2,1-b]fluoren-5-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N,7,10,10-tetraphenylindeno[2,1-b]fluoren-5-amine
PubChem CID171401927
Molecular FormulaC61H47N
Molecular Weight794.05 g/mol
Exact Mass793.37
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N,7,10,10-tetraphenylindeno[2,1-b]fluoren-5-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3c4c(cc5c3-c3cc(-c6ccccc6)ccc3C5(c3ccccc3)c3ccccc3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C61H47N/c1-59(2)50-31-19-17-29-46(50)47-35-34-45(38-53(47)59)62(44-27-15-8-16-28-44)58-56-48-30-18-20-32-51(48)60(3,4)54(56)39-55-57(58)49-37-41(40-21-9-5-10-22-40)33-36-52(49)61(55,42-23-11-6-12-24-42)43-25-13-7-14-26-43/h5-39H,1-4H3
InChIKeyFLGLDBNUYVEGGQ-UHFFFAOYSA-N
XLogP15.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.05
LogP ≤ 515.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N,7,10,10-tetraphenylindeno[2,1-b]fluoren-5-amine with MolForge

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Related Compounds

N,N-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-7,12,12-triphenylindeno[2,1-b]fluoren-5-amine
CID 171401761
N-(9,9-dimethylfluoren-2-yl)-10,10,12,12-tetramethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[2,1-b]fluoren-5-amine
CID 171401760
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 126548554
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 142481064
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298338
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
N-(9,9-dimethylfluoren-2-yl)-N,2,7,7-tetraphenylfluoreno[2,3-b][1]benzofuran-12-amine
CID 171401773
N-(9,9-dimethylfluoren-2-yl)-12',12'-dimethyl-5'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[2,1-b]fluorene]-7'-amine
CID 171402066
3-[4-[4-[N,4-bis(9,9-dimethylfluoren-2-yl)anilino]phenyl]phenyl]-N-[6-[7-[(9,9-diphenylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)amino]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 139519919
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-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(2,4,6-triphenylphenyl)fluoren-2-amine
CID 155181804
9,9-dimethyl-N-(4-phenylphenyl)-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 163787902

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N,7,10,10-tetraphenylindeno[2,1-b]fluoren-5-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N,7,10,10-tetraphenylindeno[2,1-b]fluoren-5-amine (CID 171401927) is N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N,7,10,10-tetraphenylindeno[2,1-b]fluoren-5-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N,7,10,10-tetraphenylindeno[2,1-b]fluoren-5-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N,7,10,10-tetraphenylindeno[2,1-b]fluoren-5-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3c4c(cc5c3-c3cc(-c6ccccc6)ccc3C5(c3ccccc3)c3ccccc3)C(C)(C)c3ccccc3-4)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N,7,10,10-tetraphenylindeno[2,1-b]fluoren-5-amine?
The InChIKey is FLGLDBNUYVEGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H47N/c1-59(2)50-31-19-17-29-46(50)47-35-34-45(38-53(47)59)62(44-27-15-8-16-28-44)58-56-48-30-18-20-32-51(48)60(3,4)54(56)39-55-57(58)49-37-41(40-21-9-5-10-22-40)33-36-52(49)61(55,42-23-11-6-12-24-42)43-25-13-7-14-26-43/h5-39H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N,7,10,10-tetraphenylindeno[2,1-b]fluoren-5-amine?
N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N,7,10,10-tetraphenylindeno[2,1-b]fluoren-5-amine has a molecular weight of 794.05 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-dimethylfluoren-2-yl)-12,12-dimethyl-N,7,10,10-tetraphenylindeno[2,1-b]fluoren-5-amine is sourced from PubChem (CID 171401927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).