4-[2-chloro-9-[4-(ethylamino)phenyl]fluoren-9-yl]-N-ethylaniline

C29H27ClN2 — CID 18790904

IUPAC4-[2-chloro-9-[4-(ethylamino)phenyl]fluoren-9-yl]-N-ethylaniline
SMILESCCNc1ccc(C2(c3ccc(NCC)cc3)c3ccccc3-c3ccc(Cl)cc32)cc1
InChIInChI=1S/C29H27ClN2/c1-3-31-23-14-9-20(10-15-23)29(21-11-16-24(17-12-21)32-4-2)27-8-6-5-7-25(27)26-18-13-22(30)19-28(26)29/h5-19,31-32H,3-4H2,1-2H3
InChIKeyRKGBYYYYPJDQBJ-UHFFFAOYSA-N
MW439.00 g/mol
LogP7.57
Rot. Bonds6

About 4-[2-chloro-9-[4-(ethylamino)phenyl]fluoren-9-yl]-N-ethylaniline

4-[2-chloro-9-[4-(ethylamino)phenyl]fluoren-9-yl]-N-ethylaniline (PubChem CID 18790904) has the molecular formula C29H27ClN2 and a molecular weight of 439.00 g/mol. Its IUPAC name is 4-[2-chloro-9-[4-(ethylamino)phenyl]fluoren-9-yl]-N-ethylaniline.

Molecular Properties

Compound Name4-[2-chloro-9-[4-(ethylamino)phenyl]fluoren-9-yl]-N-ethylaniline
PubChem CID18790904
Molecular FormulaC29H27ClN2
Molecular Weight439.00 g/mol
Exact Mass438.19
IUPAC Name4-[2-chloro-9-[4-(ethylamino)phenyl]fluoren-9-yl]-N-ethylaniline
SMILESCCNc1ccc(C2(c3ccc(NCC)cc3)c3ccccc3-c3ccc(Cl)cc32)cc1
InChIInChI=1S/C29H27ClN2/c1-3-31-23-14-9-20(10-15-23)29(21-11-16-24(17-12-21)32-4-2)27-8-6-5-7-25(27)26-18-13-22(30)19-28(26)29/h5-19,31-32H,3-4H2,1-2H3
InChIKeyRKGBYYYYPJDQBJ-UHFFFAOYSA-N
XLogP7.57
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.00
LogP ≤ 57.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

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Related Compounds

CID 102192841
CID 102192841
N-prop-2-enyl-4-[9-[4-(prop-2-enylamino)phenyl]fluoren-9-yl]aniline
CID 67926242
2-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]
CID 130260395
3,6-dichlorospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 130265363
propane;spiro[fluorene-9,6'-tricyclo[5.2.2.22,5]trideca-1(10),2(13),3,5(12),7(11),8-hexaene]
CID 144938761
2-(2-chloro-9-phenylfluoren-9-yl)dibenzofuran
CID 142745507
N-(4-chlorophenyl)-N,9,9-triphenylfluoren-2-amine
CID 139762369
1-(3-chlorophenyl)-3-[4-[9-[4-[(3-chlorophenyl)carbamoylamino]phenyl]fluoren-9-yl]phenyl]urea
CID 4922946
9,9-diphenylfluorene;propane
CID 158205050
3-chloro-7-(9-phenylfluoren-9-yl)dibenzothiophene
CID 177116952
N-(2-chlorophenyl)-9,9-diphenylfluoren-2-amine
CID 126695799
9,9-bis(4-methylphenyl)fluorene;propane
CID 144938703

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-9-[4-(ethylamino)phenyl]fluoren-9-yl]-N-ethylaniline?
The IUPAC name of 4-[2-chloro-9-[4-(ethylamino)phenyl]fluoren-9-yl]-N-ethylaniline (CID 18790904) is 4-[2-chloro-9-[4-(ethylamino)phenyl]fluoren-9-yl]-N-ethylaniline.
What is the SMILES notation for 4-[2-chloro-9-[4-(ethylamino)phenyl]fluoren-9-yl]-N-ethylaniline?
The canonical SMILES for 4-[2-chloro-9-[4-(ethylamino)phenyl]fluoren-9-yl]-N-ethylaniline is CCNc1ccc(C2(c3ccc(NCC)cc3)c3ccccc3-c3ccc(Cl)cc32)cc1.
What is the InChIKey of 4-[2-chloro-9-[4-(ethylamino)phenyl]fluoren-9-yl]-N-ethylaniline?
The InChIKey is RKGBYYYYPJDQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27ClN2/c1-3-31-23-14-9-20(10-15-23)29(21-11-16-24(17-12-21)32-4-2)27-8-6-5-7-25(27)26-18-13-22(30)19-28(26)29/h5-19,31-32H,3-4H2,1-2H3.
What are the key properties of 4-[2-chloro-9-[4-(ethylamino)phenyl]fluoren-9-yl]-N-ethylaniline?
4-[2-chloro-9-[4-(ethylamino)phenyl]fluoren-9-yl]-N-ethylaniline has a molecular weight of 439.00 g/mol, XLogP of 7.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-9-[4-(ethylamino)phenyl]fluoren-9-yl]-N-ethylaniline is sourced from PubChem (CID 18790904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).