N-(9,9-dimethyl-2,7-diphenylfluoren-4-yl)-N-(9,9-dimethylfluoren-2-yl)fluoranthen-1-amine

C58H43N — CID 139499012

IUPACN-(9,9-dimethyl-2,7-diphenylfluoren-4-yl)-N-(9,9-dimethylfluoren-2-yl)fluoranthen-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccccc4)cc4c3-c3ccc(-c5ccccc5)cc3C4(C)C)c3ccc4cccc5c4c3-c3ccccc3-5)cc21
InChIInChI=1S/C58H43N/c1-57(2)48-25-14-13-22-43(48)44-30-28-41(35-50(44)57)59(52-31-27-38-20-15-24-45-42-21-11-12-23-46(42)56(52)54(38)45)53-34-40(37-18-9-6-10-19-37)33-51-55(53)47-29-26-39(32-49(47)58(51,3)4)36-16-7-5-8-17-36/h5-35H,1-4H3
InChIKeyIDTKTYCJMVQWSQ-UHFFFAOYSA-N
MW753.99 g/mol
LogP15.90
Rot. Bonds5

About N-(9,9-dimethyl-2,7-diphenylfluoren-4-yl)-N-(9,9-dimethylfluoren-2-yl)fluoranthen-1-amine

N-(9,9-dimethyl-2,7-diphenylfluoren-4-yl)-N-(9,9-dimethylfluoren-2-yl)fluoranthen-1-amine (PubChem CID 139499012) has the molecular formula C58H43N and a molecular weight of 753.99 g/mol. Its IUPAC name is N-(9,9-dimethyl-2,7-diphenylfluoren-4-yl)-N-(9,9-dimethylfluoren-2-yl)fluoranthen-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethyl-2,7-diphenylfluoren-4-yl)-N-(9,9-dimethylfluoren-2-yl)fluoranthen-1-amine
PubChem CID139499012
Molecular FormulaC58H43N
Molecular Weight753.99 g/mol
Exact Mass753.34
IUPAC NameN-(9,9-dimethyl-2,7-diphenylfluoren-4-yl)-N-(9,9-dimethylfluoren-2-yl)fluoranthen-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccccc4)cc4c3-c3ccc(-c5ccccc5)cc3C4(C)C)c3ccc4cccc5c4c3-c3ccccc3-5)cc21
InChIInChI=1S/C58H43N/c1-57(2)48-25-14-13-22-43(48)44-30-28-41(35-50(44)57)59(52-31-27-38-20-15-24-45-42-21-11-12-23-46(42)56(52)54(38)45)53-34-40(37-18-9-6-10-19-37)33-51-55(53)47-29-26-39(32-49(47)58(51,3)4)36-16-7-5-8-17-36/h5-35H,1-4H3
InChIKeyIDTKTYCJMVQWSQ-UHFFFAOYSA-N
XLogP15.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.99
LogP ≤ 515.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)fluoranthen-1-amine
CID 139498825
N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-9-phenylbenzo[a]phenalen-1-amine
CID 167232083
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-8-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine
CID 167232102
7,7-dimethyl-9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine
CID 167232078
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(2-naphthalen-2-yl-4-phenylphenyl)fluoren-2-amine
CID 155181751
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoranthen-1-amine
CID 139499086
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[8-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]fluoren-2-amine
CID 130379426
7,7-dimethyl-9-naphthalen-2-yl-N,N-bis(4-phenylphenyl)benzo[a]phenalen-1-amine
CID 167232547
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 168788568
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-naphthalen-1-ylphenyl)-10-phenylbenzo[a]phenalen-1-amine
CID 167232240
N-(9,9-diphenylfluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine
CID 167232339
N-(7,7-dimethyl-9-phenylbenzo[a]phenalen-1-yl)-N-(4-phenylphenyl)triphenylen-2-amine
CID 167232118

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethyl-2,7-diphenylfluoren-4-yl)-N-(9,9-dimethylfluoren-2-yl)fluoranthen-1-amine?
The IUPAC name of N-(9,9-dimethyl-2,7-diphenylfluoren-4-yl)-N-(9,9-dimethylfluoren-2-yl)fluoranthen-1-amine (CID 139499012) is N-(9,9-dimethyl-2,7-diphenylfluoren-4-yl)-N-(9,9-dimethylfluoren-2-yl)fluoranthen-1-amine.
What is the SMILES notation for N-(9,9-dimethyl-2,7-diphenylfluoren-4-yl)-N-(9,9-dimethylfluoren-2-yl)fluoranthen-1-amine?
The canonical SMILES for N-(9,9-dimethyl-2,7-diphenylfluoren-4-yl)-N-(9,9-dimethylfluoren-2-yl)fluoranthen-1-amine is CC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccccc4)cc4c3-c3ccc(-c5ccccc5)cc3C4(C)C)c3ccc4cccc5c4c3-c3ccccc3-5)cc21.
What is the InChIKey of N-(9,9-dimethyl-2,7-diphenylfluoren-4-yl)-N-(9,9-dimethylfluoren-2-yl)fluoranthen-1-amine?
The InChIKey is IDTKTYCJMVQWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H43N/c1-57(2)48-25-14-13-22-43(48)44-30-28-41(35-50(44)57)59(52-31-27-38-20-15-24-45-42-21-11-12-23-46(42)56(52)54(38)45)53-34-40(37-18-9-6-10-19-37)33-51-55(53)47-29-26-39(32-49(47)58(51,3)4)36-16-7-5-8-17-36/h5-35H,1-4H3.
What are the key properties of N-(9,9-dimethyl-2,7-diphenylfluoren-4-yl)-N-(9,9-dimethylfluoren-2-yl)fluoranthen-1-amine?
N-(9,9-dimethyl-2,7-diphenylfluoren-4-yl)-N-(9,9-dimethylfluoren-2-yl)fluoranthen-1-amine has a molecular weight of 753.99 g/mol, XLogP of 15.90, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethyl-2,7-diphenylfluoren-4-yl)-N-(9,9-dimethylfluoren-2-yl)fluoranthen-1-amine is sourced from PubChem (CID 139499012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).