N-[2-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-3-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine

C60H51N — CID 159813005

IUPACN-[2-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-3-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine
SMILES[2H]C1(c2ccc(-c3ccccc3N(c3ccc4c(c3)-c3ccccc3C4(C)C)c3ccc4c(c3)C3(c5ccccc5-4)c4cc(C)ccc4-c4ccc(C)cc43)cc2)CCCCC1
InChIInChI=1S/C60H51N/c1-38-22-30-48-49-31-23-39(2)35-56(49)60(55(48)34-38)54-20-12-9-17-46(54)50-32-28-44(37-57(50)60)61(43-29-33-53-51(36-43)47-18-8-11-19-52(47)59(53,3)4)58-21-13-10-16-45(58)42-26-24-41(25-27-42)40-14-6-5-7-15-40/h8-13,16-37,40H,5-7,14-15H2,1-4H3/i40D
InChIKeyBNADHNXBAYSYIE-DAHCPWDWSA-N
MW787.08 g/mol
LogP16.14
Rot. Bonds5

About N-[2-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-3-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine

N-[2-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-3-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine (PubChem CID 159813005) has the molecular formula C60H51N and a molecular weight of 787.08 g/mol. Its IUPAC name is N-[2-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-3-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-[2-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-3-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine
PubChem CID159813005
Molecular FormulaC60H51N
Molecular Weight787.08 g/mol
Exact Mass786.41
IUPAC NameN-[2-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-3-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine
SMILES[2H]C1(c2ccc(-c3ccccc3N(c3ccc4c(c3)-c3ccccc3C4(C)C)c3ccc4c(c3)C3(c5ccccc5-4)c4cc(C)ccc4-c4ccc(C)cc43)cc2)CCCCC1
InChIInChI=1S/C60H51N/c1-38-22-30-48-49-31-23-39(2)35-56(49)60(55(48)34-38)54-20-12-9-17-46(54)50-32-28-44(37-57(50)60)61(43-29-33-53-51(36-43)47-18-8-11-19-52(47)59(53,3)4)58-21-13-10-16-45(58)42-26-24-41(25-27-42)40-14-6-5-7-15-40/h8-13,16-37,40H,5-7,14-15H2,1-4H3/i40D
InChIKeyBNADHNXBAYSYIE-DAHCPWDWSA-N
XLogP16.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.08
LogP ≤ 516.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-[4-(1-deuteriocyclobutyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine;N-[2-[4-(1-deuteriocycloprop-2-en-1-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[2-(1-deuteriocycloprop-2-en-1-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-3-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine
CID 159720354
N-[4-[2-(1-deuteriocyclohexyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 177124721
2-tert-butyl-N-[4-[4-(1-deuteriocyclopentyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 161062605
N-(9,9-dimethylfluoren-4-yl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-3-amine
CID 126538707
N-[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 118298195
3-N,11-N'-diphenyl-3-N,11-N'-bis(2-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-3,11'-diamine
CID 130264087
N-[2-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine
CID 156556632
N-(9,9-dimethylfluoren-2-yl)-2-methyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 118298490
2',7'-bis(4-deuteriooxan-4-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 169286020
N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 134487972
9,9-dimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-7-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylfluoren-2-amine
CID 121391735
N-[9,9-bis(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-7-methyl-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-7-methyl-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-7,9,9-triphenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 162054053

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-3-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-[2-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-3-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine (CID 159813005) is N-[2-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-3-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-[2-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-3-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-[2-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-3-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine is [2H]C1(c2ccc(-c3ccccc3N(c3ccc4c(c3)-c3ccccc3C4(C)C)c3ccc4c(c3)C3(c5ccccc5-4)c4cc(C)ccc4-c4ccc(C)cc43)cc2)CCCCC1.
What is the InChIKey of N-[2-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-3-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is BNADHNXBAYSYIE-DAHCPWDWSA-N. The full InChI is InChI=1S/C60H51N/c1-38-22-30-48-49-31-23-39(2)35-56(49)60(55(48)34-38)54-20-12-9-17-46(54)50-32-28-44(37-57(50)60)61(43-29-33-53-51(36-43)47-18-8-11-19-52(47)59(53,3)4)58-21-13-10-16-45(58)42-26-24-41(25-27-42)40-14-6-5-7-15-40/h8-13,16-37,40H,5-7,14-15H2,1-4H3/i40D.
What are the key properties of N-[2-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-3-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine?
N-[2-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-3-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 787.08 g/mol, XLogP of 16.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-3-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 159813005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).