N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine

C71H51N — CID 164929552

IUPACN-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccc(-c5cc6ccccc6c6c5-c5ccccc5C6(C)C)cc4)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)ccc21
InChIInChI=1S/C71H51N/c1-69(2)60-24-12-7-22-55(60)59-41-46(33-40-62(59)69)44-29-34-48(35-30-44)72(49-36-31-45(32-37-49)58-42-47-17-5-6-18-51(47)68-67(58)57-23-11-13-25-61(57)70(68,3)4)50-38-39-56-54-21-10-16-28-65(54)71(66(56)43-50)63-26-14-8-19-52(63)53-20-9-15-27-64(53)71/h5-43H,1-4H3
InChIKeySTKXQJGOMSLPBY-UHFFFAOYSA-N
MW918.20 g/mol
LogP18.60
Rot. Bonds5

About N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine

N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 164929552) has the molecular formula C71H51N and a molecular weight of 918.20 g/mol. Its IUPAC name is N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
PubChem CID164929552
Molecular FormulaC71H51N
Molecular Weight918.20 g/mol
Exact Mass917.40
IUPAC NameN-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccc(-c5cc6ccccc6c6c5-c5ccccc5C6(C)C)cc4)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)ccc21
InChIInChI=1S/C71H51N/c1-69(2)60-24-12-7-22-55(60)59-41-46(33-40-62(59)69)44-29-34-48(35-30-44)72(49-36-31-45(32-37-49)58-42-47-17-5-6-18-51(47)68-67(58)57-23-11-13-25-61(57)70(68,3)4)50-38-39-56-54-21-10-16-28-65(54)71(66(56)43-50)63-26-14-8-19-52(63)53-20-9-15-27-64(53)71/h5-43H,1-4H3
InChIKeySTKXQJGOMSLPBY-UHFFFAOYSA-N
XLogP18.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500918.20
LogP ≤ 518.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164929419
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-11,11-dimethyl-N-phenylbenzo[a]fluoren-9-amine
CID 170179875
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine
CID 164929479
N-[4-(11,11-dimethyl-9-phenylbenzo[a]fluoren-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 170373595
N-(9,9-diphenylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-11,11-dimethylbenzo[a]fluoren-6-amine
CID 164929337
N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-4-amine
CID 164929204
N-(9,9-dimethylfluoren-3-yl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine
CID 164929206
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine
CID 164929570
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 166825049
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]fluoren-2-amine
CID 166956448
N-(11,11-dimethyl-5-phenylbenzo[a]fluoren-8-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170372874
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-11,11-dimethyl-N-phenylbenzo[a]fluoren-6-amine
CID 164929364

Frequently Asked Questions

What is the IUPAC name of N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine (CID 164929552) is N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine is CC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccc(-c5cc6ccccc6c6c5-c5ccccc5C6(C)C)cc4)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)ccc21.
What is the InChIKey of N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is STKXQJGOMSLPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H51N/c1-69(2)60-24-12-7-22-55(60)59-41-46(33-40-62(59)69)44-29-34-48(35-30-44)72(49-36-31-45(32-37-49)58-42-47-17-5-6-18-51(47)68-67(58)57-23-11-13-25-61(57)70(68,3)4)50-38-39-56-54-21-10-16-28-65(54)71(66(56)43-50)63-26-14-8-19-52(63)53-20-9-15-27-64(53)71/h5-43H,1-4H3.
What are the key properties of N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 918.20 g/mol, XLogP of 18.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 164929552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).