N-[2-[2-[2-(2-bromophenyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine

C54H42BrN — CID 122539867

IUPACN-[2-[2-[2-(2-bromophenyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3-c3ccccc3-c3ccccc3-c3ccccc3Br)cc21
InChIInChI=1S/C54H42BrN/c1-53(2)47-25-13-9-21-41(47)43-31-29-35(33-49(43)53)56(36-30-32-44-42-22-10-14-26-48(42)54(3,4)50(44)34-36)52-28-16-12-24-46(52)40-20-8-6-18-38(40)37-17-5-7-19-39(37)45-23-11-15-27-51(45)55/h5-34H,1-4H3
InChIKeySRLXOINJUFKBBY-UHFFFAOYSA-N
MW784.84 g/mol
LogP15.53
Rot. Bonds6

About N-[2-[2-[2-(2-bromophenyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine

N-[2-[2-[2-(2-bromophenyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine (PubChem CID 122539867) has the molecular formula C54H42BrN and a molecular weight of 784.84 g/mol. Its IUPAC name is N-[2-[2-[2-(2-bromophenyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[2-[2-[2-(2-bromophenyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
PubChem CID122539867
Molecular FormulaC54H42BrN
Molecular Weight784.84 g/mol
Exact Mass783.25
IUPAC NameN-[2-[2-[2-(2-bromophenyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3-c3ccccc3-c3ccccc3-c3ccccc3Br)cc21
InChIInChI=1S/C54H42BrN/c1-53(2)47-25-13-9-21-41(47)43-31-29-35(33-49(43)53)56(36-30-32-44-42-22-10-14-26-48(42)54(3,4)50(44)34-36)52-28-16-12-24-46(52)40-20-8-6-18-38(40)37-17-5-7-19-39(37)45-23-11-15-27-51(45)55/h5-34H,1-4H3
InChIKeySRLXOINJUFKBBY-UHFFFAOYSA-N
XLogP15.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.84
LogP ≤ 515.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170120869
9,9-dimethyl-N,N-bis(2-phenylphenyl)fluoren-2-amine
CID 118245783
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 170142242
N-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 170216886
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58983323
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)-2-methylphenyl]-3-methylphenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 121322790
N-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 170215470
N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-4-amine
CID 138461764
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-amine
CID 138461965
N-(9,9-dimethylfluoren-2-yl)-7,9,9-trimethyl-N-(7,9,9-trimethylfluoren-2-yl)fluoren-2-amine
CID 151367226
9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 11111910
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-3-phenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 178165761

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2-bromophenyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-[2-[2-[2-(2-bromophenyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine (CID 122539867) is N-[2-[2-[2-(2-bromophenyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-[2-[2-[2-(2-bromophenyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-[2-[2-[2-(2-bromophenyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3-c3ccccc3-c3ccccc3-c3ccccc3Br)cc21.
What is the InChIKey of N-[2-[2-[2-(2-bromophenyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
The InChIKey is SRLXOINJUFKBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42BrN/c1-53(2)47-25-13-9-21-41(47)43-31-29-35(33-49(43)53)56(36-30-32-44-42-22-10-14-26-48(42)54(3,4)50(44)34-36)52-28-16-12-24-46(52)40-20-8-6-18-38(40)37-17-5-7-19-39(37)45-23-11-15-27-51(45)55/h5-34H,1-4H3.
What are the key properties of N-[2-[2-[2-(2-bromophenyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
N-[2-[2-[2-(2-bromophenyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine has a molecular weight of 784.84 g/mol, XLogP of 15.53, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2-bromophenyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 122539867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).