N-[4-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)-2,3,5,6-tetradeuteriophenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine

C51H50BrN — CID 177269906

IUPACN-[4-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)-2,3,5,6-tetradeuteriophenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
SMILES[2H]c1c([2H])c(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C(C)(C)c2ccccc2-3)c([2H])c([2H])c1-c1cc2c(cc1Br)C(C)(C)C(C)(C)C2(C)C
InChIInChI=1S/C51H50BrN/c1-47(2)40-17-13-11-15-35(40)37-25-23-33(27-42(37)47)53(34-24-26-38-36-16-12-14-18-41(36)48(3,4)43(38)28-34)32-21-19-31(20-22-32)39-29-44-45(30-46(39)52)50(7,8)51(9,10)49(44,5)6/h11-30H,1-10H3/i19D,20D,21D,22D
InChIKeyYRCTYSCMEVSIGO-BSCVOGSSSA-N
MW760.90 g/mol
LogP14.79
Rot. Bonds4

About N-[4-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)-2,3,5,6-tetradeuteriophenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine

N-[4-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)-2,3,5,6-tetradeuteriophenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine (PubChem CID 177269906) has the molecular formula C51H50BrN and a molecular weight of 760.90 g/mol. Its IUPAC name is N-[4-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)-2,3,5,6-tetradeuteriophenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)-2,3,5,6-tetradeuteriophenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
PubChem CID177269906
Molecular FormulaC51H50BrN
Molecular Weight760.90 g/mol
Exact Mass759.34
IUPAC NameN-[4-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)-2,3,5,6-tetradeuteriophenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
SMILES[2H]c1c([2H])c(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C(C)(C)c2ccccc2-3)c([2H])c([2H])c1-c1cc2c(cc1Br)C(C)(C)C(C)(C)C2(C)C
InChIInChI=1S/C51H50BrN/c1-47(2)40-17-13-11-15-35(40)37-25-23-33(27-42(37)47)53(34-24-26-38-36-16-12-14-18-41(36)48(3,4)43(38)28-34)32-21-19-31(20-22-32)39-29-44-45(30-46(39)52)50(7,8)51(9,10)49(44,5)6/h11-30H,1-10H3/i19D,20D,21D,22D
InChIKeyYRCTYSCMEVSIGO-BSCVOGSSSA-N
XLogP14.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.90
LogP ≤ 514.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[4-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)-2,3,5,6-tetradeuteriophenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine with MolForge

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Related Compounds

N-[4-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177269868
9,9-dimethyl-N-phenyl-N-[4-[4-[2,3,5,6-tetradeuterio-4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]fluoren-2-amine
CID 163994090
N-[3-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 177269838
N-[1,1,2,2,3,3-hexamethyl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]inden-5-yl]-9,9-dimethyl-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-2-amine
CID 177269809
N-[4-[3-(1,1,2,2,3,3-hexamethylinden-5-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177084420
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-[2-[2-[2-(2-bromophenyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 122539867
9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine
CID 171450978
5-bromo-3-N-(9,9-dimethylfluoren-2-yl)-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 140867108
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)-2,3,5,6-tetradeuteriophenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-[4-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)-2,3,5,6-tetradeuteriophenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine (CID 177269906) is N-[4-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)-2,3,5,6-tetradeuteriophenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-[4-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)-2,3,5,6-tetradeuteriophenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-[4-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)-2,3,5,6-tetradeuteriophenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine is [2H]c1c([2H])c(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C(C)(C)c2ccccc2-3)c([2H])c([2H])c1-c1cc2c(cc1Br)C(C)(C)C(C)(C)C2(C)C.
What is the InChIKey of N-[4-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)-2,3,5,6-tetradeuteriophenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
The InChIKey is YRCTYSCMEVSIGO-BSCVOGSSSA-N. The full InChI is InChI=1S/C51H50BrN/c1-47(2)40-17-13-11-15-35(40)37-25-23-33(27-42(37)47)53(34-24-26-38-36-16-12-14-18-41(36)48(3,4)43(38)28-34)32-21-19-31(20-22-32)39-29-44-45(30-46(39)52)50(7,8)51(9,10)49(44,5)6/h11-30H,1-10H3/i19D,20D,21D,22D.
What are the key properties of N-[4-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)-2,3,5,6-tetradeuteriophenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
N-[4-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)-2,3,5,6-tetradeuteriophenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine has a molecular weight of 760.90 g/mol, XLogP of 14.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)-2,3,5,6-tetradeuteriophenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 177269906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).