N,N-bis(9,9-dimethyl-5-phenylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-2-amine

C63H51N — CID 170179873

IUPACN,N-bis(9,9-dimethyl-5-phenylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc4c(c3)C(C)(C)c3cccc(-c5ccccc5)c3-4)c3ccc4c(c3)C(C)(C)c3cccc(-c5ccccc5)c3-4)ccc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C63H51N/c1-61(2)52-28-16-25-46(40-19-10-7-11-20-40)58(52)49-34-31-43(37-55(49)61)64(44-32-35-50-56(38-44)62(3,4)53-29-17-26-47(59(50)53)41-21-12-8-13-22-41)45-33-36-51-57(39-45)63(5,6)54-30-18-27-48(60(51)54)42-23-14-9-15-24-42/h7-39H,1-6H3
InChIKeyQATKHQVJUJUKJE-UHFFFAOYSA-N
MW822.11 g/mol
LogP17.08
Rot. Bonds6

About N,N-bis(9,9-dimethyl-5-phenylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-2-amine

N,N-bis(9,9-dimethyl-5-phenylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-2-amine (PubChem CID 170179873) has the molecular formula C63H51N and a molecular weight of 822.11 g/mol. Its IUPAC name is N,N-bis(9,9-dimethyl-5-phenylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-2-amine.

Molecular Properties

Compound NameN,N-bis(9,9-dimethyl-5-phenylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-2-amine
PubChem CID170179873
Molecular FormulaC63H51N
Molecular Weight822.11 g/mol
Exact Mass821.40
IUPAC NameN,N-bis(9,9-dimethyl-5-phenylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc4c(c3)C(C)(C)c3cccc(-c5ccccc5)c3-4)c3ccc4c(c3)C(C)(C)c3cccc(-c5ccccc5)c3-4)ccc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C63H51N/c1-61(2)52-28-16-25-46(40-19-10-7-11-20-40)58(52)49-34-31-43(37-55(49)61)64(44-32-35-50-56(38-44)62(3,4)53-29-17-26-47(59(50)53)41-21-12-8-13-22-41)45-33-36-51-57(39-45)63(5,6)54-30-18-27-48(60(51)54)42-23-14-9-15-24-42/h7-39H,1-6H3
InChIKeyQATKHQVJUJUKJE-UHFFFAOYSA-N
XLogP17.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.11
LogP ≤ 517.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-5-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155153854
N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-3-amine
CID 169039545
6,6,12,12-tetramethyl-N,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 138455850
9,9-dimethyl-N,5-diphenyl-N-[3-[3-(4-phenylphenyl)naphthalen-2-yl]phenyl]fluoren-2-amine
CID 170417832
N,N-bis[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168771647
6,6,12,12-tetramethyl-N,N-bis(4-methylphenyl)-10-phenylindeno[1,2-b]fluoren-2-amine
CID 138455846
6,6,12,12-tetramethyl-10-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 142541107
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 166825049
N-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)-3-phenylphenyl]-9,9-dimethylfluoren-2-amine
CID 167285837
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-9,9-dimethyl-5-phenylfluoren-3-amine
CID 169039643
N-(9,9-dimethylfluoren-2-yl)-4'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164529192
9,9-dimethyl-N-[4-(3-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N,5-diphenylfluoren-2-amine
CID 170417724

Frequently Asked Questions

What is the IUPAC name of N,N-bis(9,9-dimethyl-5-phenylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-2-amine?
The IUPAC name of N,N-bis(9,9-dimethyl-5-phenylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-2-amine (CID 170179873) is N,N-bis(9,9-dimethyl-5-phenylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-2-amine.
What is the SMILES notation for N,N-bis(9,9-dimethyl-5-phenylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-2-amine?
The canonical SMILES for N,N-bis(9,9-dimethyl-5-phenylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-2-amine is CC1(C)c2cc(N(c3ccc4c(c3)C(C)(C)c3cccc(-c5ccccc5)c3-4)c3ccc4c(c3)C(C)(C)c3cccc(-c5ccccc5)c3-4)ccc2-c2c(-c3ccccc3)cccc21.
What is the InChIKey of N,N-bis(9,9-dimethyl-5-phenylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-2-amine?
The InChIKey is QATKHQVJUJUKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H51N/c1-61(2)52-28-16-25-46(40-19-10-7-11-20-40)58(52)49-34-31-43(37-55(49)61)64(44-32-35-50-56(38-44)62(3,4)53-29-17-26-47(59(50)53)41-21-12-8-13-22-41)45-33-36-51-57(39-45)63(5,6)54-30-18-27-48(60(51)54)42-23-14-9-15-24-42/h7-39H,1-6H3.
What are the key properties of N,N-bis(9,9-dimethyl-5-phenylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-2-amine?
N,N-bis(9,9-dimethyl-5-phenylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-2-amine has a molecular weight of 822.11 g/mol, XLogP of 17.08, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(9,9-dimethyl-5-phenylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-2-amine is sourced from PubChem (CID 170179873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).