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

C65H47N — CID 118004652

IUPACN-[4-[9-(9,9-diphenylfluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(C4(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5ccccc5-c5ccccc54)cc3)cc21
InChIInChI=1S/C65H47N/c1-63(2)57-30-16-12-26-51(57)55-41-39-50(43-61(55)63)66(48-24-10-5-11-25-48)49-37-34-46(35-38-49)65(59-32-18-13-27-52(59)53-28-14-19-33-60(53)65)47-36-40-56-54-29-15-17-31-58(54)64(62(56)42-47,44-20-6-3-7-21-44)45-22-8-4-9-23-45/h3-43H,1-2H3
InChIKeyYIJYDUODTSRIOL-UHFFFAOYSA-N
MW842.10 g/mol
LogP16.19
Rot. Bonds7

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

N-[4-[9-(9,9-diphenylfluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (PubChem CID 118004652) has the molecular formula C65H47N and a molecular weight of 842.10 g/mol. Its IUPAC name is N-[4-[9-(9,9-diphenylfluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-[9-(9,9-diphenylfluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
PubChem CID118004652
Molecular FormulaC65H47N
Molecular Weight842.10 g/mol
Exact Mass841.37
IUPAC NameN-[4-[9-(9,9-diphenylfluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(C4(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5ccccc5-c5ccccc54)cc3)cc21
InChIInChI=1S/C65H47N/c1-63(2)57-30-16-12-26-51(57)55-41-39-50(43-61(55)63)66(48-24-10-5-11-25-48)49-37-34-46(35-38-49)65(59-32-18-13-27-52(59)53-28-14-19-33-60(53)65)47-36-40-56-54-29-15-17-31-58(54)64(62(56)42-47,44-20-6-3-7-21-44)45-22-8-4-9-23-45/h3-43H,1-2H3
InChIKeyYIJYDUODTSRIOL-UHFFFAOYSA-N
XLogP16.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.10
LogP ≤ 516.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-(4-phenylphenyl)-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 163787902
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
11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,11-triphenylbenzo[b]fluoren-2-amine
CID 118145932
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298338
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,N-bis[3-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 154972916
9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 139384269
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
1-N,3-N,5-N-tris(9,9-diphenylfluoren-2-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 132601190
N-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]-N-phenyldibenzothiophen-3-amine
CID 140919886
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-amine
CID 118298327
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

Frequently Asked Questions

What is the IUPAC name of N-[4-[9-(9,9-diphenylfluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The IUPAC name of N-[4-[9-(9,9-diphenylfluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (CID 118004652) is N-[4-[9-(9,9-diphenylfluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.
What is the SMILES notation for N-[4-[9-(9,9-diphenylfluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The canonical SMILES for N-[4-[9-(9,9-diphenylfluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(C4(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5ccccc5-c5ccccc54)cc3)cc21.
What is the InChIKey of N-[4-[9-(9,9-diphenylfluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The InChIKey is YIJYDUODTSRIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H47N/c1-63(2)57-30-16-12-26-51(57)55-41-39-50(43-61(55)63)66(48-24-10-5-11-25-48)49-37-34-46(35-38-49)65(59-32-18-13-27-52(59)53-28-14-19-33-60(53)65)47-36-40-56-54-29-15-17-31-58(54)64(62(56)42-47,44-20-6-3-7-21-44)45-22-8-4-9-23-45/h3-43H,1-2H3.
What are the key properties of N-[4-[9-(9,9-diphenylfluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
N-[4-[9-(9,9-diphenylfluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine has a molecular weight of 842.10 g/mol, XLogP of 16.19, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[9-(9,9-diphenylfluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is sourced from PubChem (CID 118004652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).