1,3,4,5,6,7,8-heptadeuterio-N-(9-methyl-9-phenylfluoren-2-yl)-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)-N-(2-phenylphenyl)fluoren-2-amine

C57H41N — CID 171453277

IUPAC1,3,4,5,6,7,8-heptadeuterio-N-(9-methyl-9-phenylfluoren-2-yl)-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)-N-(2-phenylphenyl)fluoren-2-amine
SMILES[2H]c1c([2H])c([2H])c(C2(c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3c([2H])c([2H])c([2H])c([2H])c3-c3c([2H])c([2H])c(N(c4ccc5c(c4)C(C)(c4ccccc4)c4ccccc4-5)c4ccccc4-c4ccccc4)c([2H])c32)c([2H])c1[2H]
InChIInChI=1S/C57H41N/c1-56(41-22-8-3-9-23-41)51-31-17-14-29-47(51)49-36-34-44(38-53(49)56)58(55-33-19-16-28-46(55)40-20-6-2-7-21-40)45-35-37-50-48-30-15-18-32-52(48)57(54(50)39-45,42-24-10-4-11-25-42)43-26-12-5-13-27-43/h2-39H,1H3/i4D,5D,10D,11D,12D,13D,15D,18D,24D,25D,26D,27D,30D,32D,35D,37D,39D
InChIKeyZTQIPGCDOPSKNV-QUOXNSHGSA-N
MW757.07 g/mol
LogP14.52
Rot. Bonds7

About 1,3,4,5,6,7,8-heptadeuterio-N-(9-methyl-9-phenylfluoren-2-yl)-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)-N-(2-phenylphenyl)fluoren-2-amine

1,3,4,5,6,7,8-heptadeuterio-N-(9-methyl-9-phenylfluoren-2-yl)-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)-N-(2-phenylphenyl)fluoren-2-amine (PubChem CID 171453277) has the molecular formula C57H41N and a molecular weight of 757.07 g/mol. Its IUPAC name is 1,3,4,5,6,7,8-heptadeuterio-N-(9-methyl-9-phenylfluoren-2-yl)-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)-N-(2-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name1,3,4,5,6,7,8-heptadeuterio-N-(9-methyl-9-phenylfluoren-2-yl)-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)-N-(2-phenylphenyl)fluoren-2-amine
PubChem CID171453277
Molecular FormulaC57H41N
Molecular Weight757.07 g/mol
Exact Mass756.43
IUPAC Name1,3,4,5,6,7,8-heptadeuterio-N-(9-methyl-9-phenylfluoren-2-yl)-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)-N-(2-phenylphenyl)fluoren-2-amine
SMILES[2H]c1c([2H])c([2H])c(C2(c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3c([2H])c([2H])c([2H])c([2H])c3-c3c([2H])c([2H])c(N(c4ccc5c(c4)C(C)(c4ccccc4)c4ccccc4-5)c4ccccc4-c4ccccc4)c([2H])c32)c([2H])c1[2H]
InChIInChI=1S/C57H41N/c1-56(41-22-8-3-9-23-41)51-31-17-14-29-47(51)49-36-34-44(38-53(49)56)58(55-33-19-16-28-46(55)40-20-6-2-7-21-40)45-35-37-50-48-30-15-18-32-52(48)57(54(50)39-45,42-24-10-4-11-25-42)43-26-12-5-13-27-43/h2-39H,1H3/i4D,5D,10D,11D,12D,13D,15D,18D,24D,25D,26D,27D,30D,32D,35D,37D,39D
InChIKeyZTQIPGCDOPSKNV-QUOXNSHGSA-N
XLogP14.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.07
LogP ≤ 514.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,3,4,5,6,7,8-heptadeuterio-N-(9-methyl-9-phenylfluoren-2-yl)-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)-N-(2-phenylphenyl)fluoren-2-amine with MolForge

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Related Compounds

N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 171453157
9-methyl-9-(4-methylphenyl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 90029841
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 170215498
N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenyl-N-(3-phenylphenyl)fluoren-2-amine
CID 171453618
9,9-diphenyl-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 171451168
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 170215500
1,3,4,5,6,7,8-heptadeuterio-N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-amine
CID 171451031
1,2,3,5,6,7,8-heptadeuterio-N-(9,9-dimethylfluoren-2-yl)-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 171461549
1,3,4,5,6,7,8-heptadeuterio-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 171461488
ethane;2-N,7-N,9,9-tetraphenyl-2-N,7-N-bis(2-phenylphenyl)fluorene-2,7-diamine
CID 160845132
N-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;1,1',2',3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 164949136
9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 171453321

Frequently Asked Questions

What is the IUPAC name of 1,3,4,5,6,7,8-heptadeuterio-N-(9-methyl-9-phenylfluoren-2-yl)-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)-N-(2-phenylphenyl)fluoren-2-amine?
The IUPAC name of 1,3,4,5,6,7,8-heptadeuterio-N-(9-methyl-9-phenylfluoren-2-yl)-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)-N-(2-phenylphenyl)fluoren-2-amine (CID 171453277) is 1,3,4,5,6,7,8-heptadeuterio-N-(9-methyl-9-phenylfluoren-2-yl)-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)-N-(2-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 1,3,4,5,6,7,8-heptadeuterio-N-(9-methyl-9-phenylfluoren-2-yl)-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)-N-(2-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 1,3,4,5,6,7,8-heptadeuterio-N-(9-methyl-9-phenylfluoren-2-yl)-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)-N-(2-phenylphenyl)fluoren-2-amine is [2H]c1c([2H])c([2H])c(C2(c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3c([2H])c([2H])c([2H])c([2H])c3-c3c([2H])c([2H])c(N(c4ccc5c(c4)C(C)(c4ccccc4)c4ccccc4-5)c4ccccc4-c4ccccc4)c([2H])c32)c([2H])c1[2H].
What is the InChIKey of 1,3,4,5,6,7,8-heptadeuterio-N-(9-methyl-9-phenylfluoren-2-yl)-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)-N-(2-phenylphenyl)fluoren-2-amine?
The InChIKey is ZTQIPGCDOPSKNV-QUOXNSHGSA-N. The full InChI is InChI=1S/C57H41N/c1-56(41-22-8-3-9-23-41)51-31-17-14-29-47(51)49-36-34-44(38-53(49)56)58(55-33-19-16-28-46(55)40-20-6-2-7-21-40)45-35-37-50-48-30-15-18-32-52(48)57(54(50)39-45,42-24-10-4-11-25-42)43-26-12-5-13-27-43/h2-39H,1H3/i4D,5D,10D,11D,12D,13D,15D,18D,24D,25D,26D,27D,30D,32D,35D,37D,39D.
What are the key properties of 1,3,4,5,6,7,8-heptadeuterio-N-(9-methyl-9-phenylfluoren-2-yl)-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)-N-(2-phenylphenyl)fluoren-2-amine?
1,3,4,5,6,7,8-heptadeuterio-N-(9-methyl-9-phenylfluoren-2-yl)-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)-N-(2-phenylphenyl)fluoren-2-amine has a molecular weight of 757.07 g/mol, XLogP of 14.52, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5,6,7,8-heptadeuterio-N-(9-methyl-9-phenylfluoren-2-yl)-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)-N-(2-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 171453277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).