N-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-3-amine

C56H46N2 — CID 58389700

IUPACN-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc(N(c4cccnc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)cc21
InChIInChI=1S/C56H46N2/c1-54(2)48-18-10-7-15-42(48)45-24-21-35(31-51(45)54)37-28-38(36-22-25-46-43-16-8-11-19-49(43)55(3,4)52(46)32-36)30-41(29-37)58(40-14-13-27-57-34-40)39-23-26-47-44-17-9-12-20-50(44)56(5,6)53(47)33-39/h7-34H,1-6H3
InChIKeyRFGVBJUAOAFTRP-UHFFFAOYSA-N
MW747.00 g/mol
LogP14.80
Rot. Bonds5

About N-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-3-amine

N-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-3-amine (PubChem CID 58389700) has the molecular formula C56H46N2 and a molecular weight of 747.00 g/mol. Its IUPAC name is N-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-3-amine
PubChem CID58389700
Molecular FormulaC56H46N2
Molecular Weight747.00 g/mol
Exact Mass746.37
IUPAC NameN-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc(N(c4cccnc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)cc21
InChIInChI=1S/C56H46N2/c1-54(2)48-18-10-7-15-42(48)45-24-21-35(31-51(45)54)37-28-38(36-22-25-46-43-16-8-11-19-49(43)55(3,4)52(46)32-36)30-41(29-37)58(40-14-13-27-57-34-40)39-23-26-47-44-17-9-12-20-50(44)56(5,6)53(47)33-39/h7-34H,1-6H3
InChIKeyRFGVBJUAOAFTRP-UHFFFAOYSA-N
XLogP14.80
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.00
LogP ≤ 514.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-bis(9,9-dimethylfluoren-2-yl)-N-(4-methylphenyl)-N-phenylaniline
CID 58389731
3-[4-[3-(9,9-dimethylfluoren-2-yl)-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
CID 155105175
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
N,N-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 154972869
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)aniline
CID 58389668
N-[3-[6-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-9,9,10,10-tetramethylanthracen-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 59649074
N-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 146247503
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 118298633

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-3-amine?
The IUPAC name of N-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-3-amine (CID 58389700) is N-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-3-amine.
What is the SMILES notation for N-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-3-amine?
The canonical SMILES for N-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-3-amine is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc(N(c4cccnc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)cc21.
What is the InChIKey of N-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-3-amine?
The InChIKey is RFGVBJUAOAFTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H46N2/c1-54(2)48-18-10-7-15-42(48)45-24-21-35(31-51(45)54)37-28-38(36-22-25-46-43-16-8-11-19-49(43)55(3,4)52(46)32-36)30-41(29-37)58(40-14-13-27-57-34-40)39-23-26-47-44-17-9-12-20-50(44)56(5,6)53(47)33-39/h7-34H,1-6H3.
What are the key properties of N-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-3-amine?
N-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-3-amine has a molecular weight of 747.00 g/mol, XLogP of 14.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-3-amine is sourced from PubChem (CID 58389700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).