N-propan-2-yl-4-[9-[4-(propan-2-ylamino)phenyl]fluoren-9-yl]aniline

C31H32N2 — CID 18790916

IUPACN-propan-2-yl-4-[9-[4-(propan-2-ylamino)phenyl]fluoren-9-yl]aniline
SMILESCC(C)Nc1ccc(C2(c3ccc(NC(C)C)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C31H32N2/c1-21(2)32-25-17-13-23(14-18-25)31(24-15-19-26(20-16-24)33-22(3)4)29-11-7-5-9-27(29)28-10-6-8-12-30(28)31/h5-22,32-33H,1-4H3
InChIKeyOJVIJGVKJMPVAE-UHFFFAOYSA-N
MW432.61 g/mol
LogP7.69
Rot. Bonds6

About N-propan-2-yl-4-[9-[4-(propan-2-ylamino)phenyl]fluoren-9-yl]aniline

N-propan-2-yl-4-[9-[4-(propan-2-ylamino)phenyl]fluoren-9-yl]aniline (PubChem CID 18790916) has the molecular formula C31H32N2 and a molecular weight of 432.61 g/mol. Its IUPAC name is N-propan-2-yl-4-[9-[4-(propan-2-ylamino)phenyl]fluoren-9-yl]aniline.

Molecular Properties

Compound NameN-propan-2-yl-4-[9-[4-(propan-2-ylamino)phenyl]fluoren-9-yl]aniline
PubChem CID18790916
Molecular FormulaC31H32N2
Molecular Weight432.61 g/mol
Exact Mass432.26
IUPAC NameN-propan-2-yl-4-[9-[4-(propan-2-ylamino)phenyl]fluoren-9-yl]aniline
SMILESCC(C)Nc1ccc(C2(c3ccc(NC(C)C)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C31H32N2/c1-21(2)32-25-17-13-23(14-18-25)31(24-15-19-26(20-16-24)33-22(3)4)29-11-7-5-9-27(29)28-10-6-8-12-30(28)31/h5-22,32-33H,1-4H3
InChIKeyOJVIJGVKJMPVAE-UHFFFAOYSA-N
XLogP7.69
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.61
LogP ≤ 57.69
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

(2R)-2-chloro-N-[4-[9-[4-[[(2R)-2-chloropropanoyl]amino]phenyl]fluoren-9-yl]phenyl]propanamide
CID 99129240
N-[4-[9-[4-(carbamoylamino)phenyl]fluoren-9-yl]phenyl]acetamide
CID 123893670
N-[4-[4-[9-[4-(4-acetamidophenoxy)phenyl]fluoren-9-yl]phenoxy]phenyl]acetamide
CID 158305023
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
9,9-bis(4-methylsulfanylphenyl)fluorene
CID 59263565
9,9-diphenylfluorene;methane
CID 145140147
9,9-diphenylfluorene;methane
CID 145331804
N-prop-2-enyl-4-[9-[4-(prop-2-enylamino)phenyl]fluoren-9-yl]aniline
CID 67926242
9,9-diphenylfluorene;propane
CID 158205050
9,9-diphenylfluorene;ethane;fluoro(sulfanylidene)borane;methane;9,9'-spirobi[fluorene]
CID 160740129
bis(9,9-diphenylfluorene);ethane;propane
CID 144938803
6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene
CID 101421308

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-[9-[4-(propan-2-ylamino)phenyl]fluoren-9-yl]aniline?
The IUPAC name of N-propan-2-yl-4-[9-[4-(propan-2-ylamino)phenyl]fluoren-9-yl]aniline (CID 18790916) is N-propan-2-yl-4-[9-[4-(propan-2-ylamino)phenyl]fluoren-9-yl]aniline.
What is the SMILES notation for N-propan-2-yl-4-[9-[4-(propan-2-ylamino)phenyl]fluoren-9-yl]aniline?
The canonical SMILES for N-propan-2-yl-4-[9-[4-(propan-2-ylamino)phenyl]fluoren-9-yl]aniline is CC(C)Nc1ccc(C2(c3ccc(NC(C)C)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N-propan-2-yl-4-[9-[4-(propan-2-ylamino)phenyl]fluoren-9-yl]aniline?
The InChIKey is OJVIJGVKJMPVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2/c1-21(2)32-25-17-13-23(14-18-25)31(24-15-19-26(20-16-24)33-22(3)4)29-11-7-5-9-27(29)28-10-6-8-12-30(28)31/h5-22,32-33H,1-4H3.
What are the key properties of N-propan-2-yl-4-[9-[4-(propan-2-ylamino)phenyl]fluoren-9-yl]aniline?
N-propan-2-yl-4-[9-[4-(propan-2-ylamino)phenyl]fluoren-9-yl]aniline has a molecular weight of 432.61 g/mol, XLogP of 7.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-[9-[4-(propan-2-ylamino)phenyl]fluoren-9-yl]aniline is sourced from PubChem (CID 18790916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).