N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(2-phenylphenyl)-2-(3-phenylphenyl)phenyl]fluoren-2-amine

C60H47N — CID 167285846

IUPACN-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(2-phenylphenyl)-2-(3-phenylphenyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc(-c4ccccc4-c4ccccc4)c3-c3cccc(-c4ccccc4)c3)cc21
InChIInChI=1S/C60H47N/c1-59(2)53-30-15-13-27-48(53)50-35-33-44(38-55(50)59)61(45-34-36-51-49-28-14-16-31-54(49)60(3,4)56(51)39-45)57-32-18-29-52(47-26-12-11-25-46(47)41-21-9-6-10-22-41)58(57)43-24-17-23-42(37-43)40-19-7-5-8-20-40/h5-39H,1-4H3
InChIKeyMMFGVYSXVFIWRT-UHFFFAOYSA-N
MW782.04 g/mol
LogP16.44
Rot. Bonds7

About N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(2-phenylphenyl)-2-(3-phenylphenyl)phenyl]fluoren-2-amine

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(2-phenylphenyl)-2-(3-phenylphenyl)phenyl]fluoren-2-amine (PubChem CID 167285846) has the molecular formula C60H47N and a molecular weight of 782.04 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(2-phenylphenyl)-2-(3-phenylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(2-phenylphenyl)-2-(3-phenylphenyl)phenyl]fluoren-2-amine
PubChem CID167285846
Molecular FormulaC60H47N
Molecular Weight782.04 g/mol
Exact Mass781.37
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(2-phenylphenyl)-2-(3-phenylphenyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc(-c4ccccc4-c4ccccc4)c3-c3cccc(-c4ccccc4)c3)cc21
InChIInChI=1S/C60H47N/c1-59(2)53-30-15-13-27-48(53)50-35-33-44(38-55(50)59)61(45-34-36-51-49-28-14-16-31-54(49)60(3,4)56(51)39-45)57-32-18-29-52(47-26-12-11-25-46(47)41-21-9-6-10-22-41)58(57)43-24-17-23-42(37-43)40-19-7-5-8-20-40/h5-39H,1-4H3
InChIKeyMMFGVYSXVFIWRT-UHFFFAOYSA-N
XLogP16.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.04
LogP ≤ 516.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 167285595
N-[2-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 170665562
9,9-dimethyl-N-phenyl-N-[2-phenyl-3-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 167293244
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 168788568
N-[3-(9,9-dimethylfluoren-2-yl)-2-(3-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(2-phenylphenyl)phenyl]fluoren-3-amine
CID 170665738
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167285492
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170120869
N-[2-(9,9-dimethylfluoren-3-yl)-3-phenylphenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 167293184
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 168788736
9,9-dimethyl-N-[3-(2-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167285489
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)tetracyclo[8.6.0.03,8.011,16]hexadeca-1,3,5,7,9,11(16),12,14-octaen-12-amine
CID 166031628
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 167177057

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(2-phenylphenyl)-2-(3-phenylphenyl)phenyl]fluoren-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(2-phenylphenyl)-2-(3-phenylphenyl)phenyl]fluoren-2-amine (CID 167285846) is N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(2-phenylphenyl)-2-(3-phenylphenyl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(2-phenylphenyl)-2-(3-phenylphenyl)phenyl]fluoren-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(2-phenylphenyl)-2-(3-phenylphenyl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc(-c4ccccc4-c4ccccc4)c3-c3cccc(-c4ccccc4)c3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(2-phenylphenyl)-2-(3-phenylphenyl)phenyl]fluoren-2-amine?
The InChIKey is MMFGVYSXVFIWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H47N/c1-59(2)53-30-15-13-27-48(53)50-35-33-44(38-55(50)59)61(45-34-36-51-49-28-14-16-31-54(49)60(3,4)56(51)39-45)57-32-18-29-52(47-26-12-11-25-46(47)41-21-9-6-10-22-41)58(57)43-24-17-23-42(37-43)40-19-7-5-8-20-40/h5-39H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(2-phenylphenyl)-2-(3-phenylphenyl)phenyl]fluoren-2-amine?
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(2-phenylphenyl)-2-(3-phenylphenyl)phenyl]fluoren-2-amine has a molecular weight of 782.04 g/mol, XLogP of 16.44, 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)-9,9-dimethyl-N-[3-(2-phenylphenyl)-2-(3-phenylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 167285846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).