9,9-bis(2,3,4,5,6-pentadeuteriophenyl)-N,N-bis[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine

C75H51N — CID 164783664

IUPAC9,9-bis(2,3,4,5,6-pentadeuteriophenyl)-N,N-bis[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
SMILES[2H]c1c([2H])c([2H])c(C2(c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3ccccc3-c3ccc(N(c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)cc32)c([2H])c1[2H]
InChIInChI=1S/C75H51N/c1-5-23-52(24-6-1)73(67-36-18-13-31-61(67)62-32-14-19-37-68(62)73)56-41-45-58(46-42-56)76(59-47-43-57(44-48-59)74(53-25-7-2-8-26-53)69-38-20-15-33-63(69)64-34-16-21-39-70(64)74)60-49-50-66-65-35-17-22-40-71(65)75(72(66)51-60,54-27-9-3-10-28-54)55-29-11-4-12-30-55/h1-51H/i3D,4D,9D,10D,11D,12D,27D,28D,29D,30D
InChIKeyILLYEWAWDDJBNU-KBZRQLQQSA-N
MW976.30 g/mol
LogP18.25
Rot. Bonds9

About 9,9-bis(2,3,4,5,6-pentadeuteriophenyl)-N,N-bis[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine

9,9-bis(2,3,4,5,6-pentadeuteriophenyl)-N,N-bis[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine (PubChem CID 164783664) has the molecular formula C75H51N and a molecular weight of 976.30 g/mol. Its IUPAC name is 9,9-bis(2,3,4,5,6-pentadeuteriophenyl)-N,N-bis[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-bis(2,3,4,5,6-pentadeuteriophenyl)-N,N-bis[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
PubChem CID164783664
Molecular FormulaC75H51N
Molecular Weight976.30 g/mol
Exact Mass975.46
IUPAC Name9,9-bis(2,3,4,5,6-pentadeuteriophenyl)-N,N-bis[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
SMILES[2H]c1c([2H])c([2H])c(C2(c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3ccccc3-c3ccc(N(c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)cc32)c([2H])c1[2H]
InChIInChI=1S/C75H51N/c1-5-23-52(24-6-1)73(67-36-18-13-31-61(67)62-32-14-19-37-68(62)73)56-41-45-58(46-42-56)76(59-47-43-57(44-48-59)74(53-25-7-2-8-26-53)69-38-20-15-33-63(69)64-34-16-21-39-70(64)74)60-49-50-66-65-35-17-22-40-71(65)75(72(66)51-60,54-27-9-3-10-28-54)55-29-11-4-12-30-55/h1-51H/i3D,4D,9D,10D,11D,12D,27D,28D,29D,30D
InChIKeyILLYEWAWDDJBNU-KBZRQLQQSA-N
XLogP18.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500976.30
LogP ≤ 518.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9,9-bis(2,3,4,5,6-pentadeuteriophenyl)-N,N-bis[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine with MolForge

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-(2,4,6-trideuteriophenyl)fluoren-2-amine
CID 164783967
N-[9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)-9-(2,3,4,5-tetradeuteriophenyl)fluoren-2-amine
CID 164783522
2-N,2-N'-bis[9-(4-ethenylphenyl)-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-2-N,2-N'-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine
CID 153313800
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
1-N,3-N,5-N-tris(9,9-diphenylfluoren-2-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 132601190
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381203
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 118298160
2-N,2-N'-bis[9-(4-ethenylphenyl)-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine;9-(4-ethenylphenyl)-N-[4-[4-(N-[9-(4-ethenylphenyl)-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]anilino)naphthalen-1-yl]naphthalen-1-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)-N-phenylfluoren-2-amine;9-(4-ethenylphenyl)-N-[4-[4-(N-[9-(4-ethenylphenyl)-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(2,3,4,5,6-pentadeuteriophenyl)-N-phenylfluoren-2-amine
CID 162015993
9,9-diphenyl-N,N-bis[4-(9-phenylfluoren-9-yl)phenyl]fluoren-3-amine
CID 121464369
N-(4-chlorophenyl)-N,9,9-triphenylfluoren-2-amine
CID 139762369
2-N'-(9,9-diphenylfluoren-4-yl)-2-N'-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-N,2-N-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791267

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(2,3,4,5,6-pentadeuteriophenyl)-N,N-bis[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine?
The IUPAC name of 9,9-bis(2,3,4,5,6-pentadeuteriophenyl)-N,N-bis[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine (CID 164783664) is 9,9-bis(2,3,4,5,6-pentadeuteriophenyl)-N,N-bis[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-bis(2,3,4,5,6-pentadeuteriophenyl)-N,N-bis[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-bis(2,3,4,5,6-pentadeuteriophenyl)-N,N-bis[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine is [2H]c1c([2H])c([2H])c(C2(c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3ccccc3-c3ccc(N(c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)cc32)c([2H])c1[2H].
What is the InChIKey of 9,9-bis(2,3,4,5,6-pentadeuteriophenyl)-N,N-bis[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine?
The InChIKey is ILLYEWAWDDJBNU-KBZRQLQQSA-N. The full InChI is InChI=1S/C75H51N/c1-5-23-52(24-6-1)73(67-36-18-13-31-61(67)62-32-14-19-37-68(62)73)56-41-45-58(46-42-56)76(59-47-43-57(44-48-59)74(53-25-7-2-8-26-53)69-38-20-15-33-63(69)64-34-16-21-39-70(64)74)60-49-50-66-65-35-17-22-40-71(65)75(72(66)51-60,54-27-9-3-10-28-54)55-29-11-4-12-30-55/h1-51H/i3D,4D,9D,10D,11D,12D,27D,28D,29D,30D.
What are the key properties of 9,9-bis(2,3,4,5,6-pentadeuteriophenyl)-N,N-bis[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine?
9,9-bis(2,3,4,5,6-pentadeuteriophenyl)-N,N-bis[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine has a molecular weight of 976.30 g/mol, XLogP of 18.25, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(2,3,4,5,6-pentadeuteriophenyl)-N,N-bis[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 164783664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).