N,N-bis[4-(cyclohexylidenemethyl)phenyl]-9,9'-spirobi[fluorene]-2-amine

C51H45N — CID 20733834

IUPACN,N-bis[4-(cyclohexylidenemethyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESC(=C1CCCCC1)c1ccc(N(c2ccc(C=C3CCCCC3)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C51H45N/c1-3-13-36(14-4-1)33-38-23-27-40(28-24-38)52(41-29-25-39(26-30-41)34-37-15-5-2-6-16-37)42-31-32-46-45-19-9-12-22-49(45)51(50(46)35-42)47-20-10-7-17-43(47)44-18-8-11-21-48(44)51/h7-12,17-35H,1-6,13-16H2
InChIKeyRXMFLXWEQLRJPY-UHFFFAOYSA-N
MW671.93 g/mol
LogP14.19
Rot. Bonds5

About N,N-bis[4-(cyclohexylidenemethyl)phenyl]-9,9'-spirobi[fluorene]-2-amine

N,N-bis[4-(cyclohexylidenemethyl)phenyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 20733834) has the molecular formula C51H45N and a molecular weight of 671.93 g/mol. Its IUPAC name is N,N-bis[4-(cyclohexylidenemethyl)phenyl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN,N-bis[4-(cyclohexylidenemethyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
PubChem CID20733834
Molecular FormulaC51H45N
Molecular Weight671.93 g/mol
Exact Mass671.36
IUPAC NameN,N-bis[4-(cyclohexylidenemethyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESC(=C1CCCCC1)c1ccc(N(c2ccc(C=C3CCCCC3)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C51H45N/c1-3-13-36(14-4-1)33-38-23-27-40(28-24-38)52(41-29-25-39(26-30-41)34-37-15-5-2-6-16-37)42-31-32-46-45-19-9-12-22-49(45)51(50(46)35-42)47-20-10-7-17-43(47)44-18-8-11-21-48(44)51/h7-12,17-35H,1-6,13-16H2
InChIKeyRXMFLXWEQLRJPY-UHFFFAOYSA-N
XLogP14.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.93
LogP ≤ 514.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)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-amine
CID 121391582
N-phenyl-N-(4-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]-11'-amine
CID 155079035
4-(4-ethenylphenyl)-N-[4-(4-ethenylphenyl)phenyl]-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 177116950
9-N,9-N,10-N,10-N-tetrakis[4-(cyclohexylidenemethyl)phenyl]anthracene-9,10-diamine
CID 20733877
N,N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
CID 134193979
N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-2'-amine
CID 134215993
2-N,2-N,2-N'-tris(4-phenylphenyl)-2-N'-[4-[3-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 138662093
N-(3,4-diphenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 155114306
2-N,6-N-bis[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-10-N-[4-[(E)-2-[4-(cyclohexylmethyl)phenyl]ethenyl]phenyl]-2-N,6-N,10-N-triphenyltetraphenylene-2,6,10-triamine
CID 20733709
1-N,3-N-bis[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-1-N,3-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,3-diamine
CID 170152963
2-chloro-11-N',11-N',17-N',17-N'-tetraphenylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130263577

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(cyclohexylidenemethyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N,N-bis[4-(cyclohexylidenemethyl)phenyl]-9,9'-spirobi[fluorene]-2-amine (CID 20733834) is N,N-bis[4-(cyclohexylidenemethyl)phenyl]-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N,N-bis[4-(cyclohexylidenemethyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N,N-bis[4-(cyclohexylidenemethyl)phenyl]-9,9'-spirobi[fluorene]-2-amine is C(=C1CCCCC1)c1ccc(N(c2ccc(C=C3CCCCC3)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.
What is the InChIKey of N,N-bis[4-(cyclohexylidenemethyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is RXMFLXWEQLRJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H45N/c1-3-13-36(14-4-1)33-38-23-27-40(28-24-38)52(41-29-25-39(26-30-41)34-37-15-5-2-6-16-37)42-31-32-46-45-19-9-12-22-49(45)51(50(46)35-42)47-20-10-7-17-43(47)44-18-8-11-21-48(44)51/h7-12,17-35H,1-6,13-16H2.
What are the key properties of N,N-bis[4-(cyclohexylidenemethyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
N,N-bis[4-(cyclohexylidenemethyl)phenyl]-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 671.93 g/mol, XLogP of 14.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-(cyclohexylidenemethyl)phenyl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 20733834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).